N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea

C119H120N8O16 — CID 157470685

IUPACN,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea
SMILESCC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.CN(C)C(=O)Oc1ccc(-c2cccc(CCC=O)c2)cc1.CN(C)C(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.CNC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.COC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.NC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.NC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1
InChIInChI=1S/C18H19NO3.C18H19NO2.C17H17NO3.2C17H17NO2.C16H16N2O2.C16H15NO2/c1-19(2)18(21)22-17-10-8-15(9-11-17)16-7-3-5-14(13-16)6-4-12-20;1-19(2)18(21)16-10-8-15(9-11-16)17-7-3-5-14(13-17)6-4-12-20;1-21-17(20)18-16-9-7-14(8-10-16)15-6-2-4-13(12-15)5-3-11-19;1-18-17(20)15-9-7-14(8-10-15)16-6-2-4-13(12-16)5-3-11-19;1-13(20)18-17-9-7-15(8-10-17)16-6-2-4-14(12-16)5-3-11-19;17-16(20)18-15-8-6-13(7-9-15)14-5-1-3-12(11-14)4-2-10-19;17-16(19)14-8-6-13(7-9-14)15-5-1-3-12(11-15)4-2-10-18/h3,5,7-13H,4,6H2,1-2H3;3,5,7-13H,4,6H2,1-2H3;2,4,6-12H,3,5H2,1H3,(H,18,20);2*2,4,6-12H,3,5H2,1H3,(H,18,20);1,3,5-11H,2,4H2,(H3,17,18,20);1,3,5-11H,2,4H2,(H2,17,19)
InChIKeyBUZONTMWFKXMDT-UHFFFAOYSA-N
MW1918.31 g/mol
LogP22.24
Rot. Bonds35

About N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea

N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea (PubChem CID 157470685) has the molecular formula C119H120N8O16 and a molecular weight of 1918.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea
PubChem CID157470685
Molecular FormulaC119H120N8O16
Molecular Weight1918.31 g/mol
Exact Mass1916.88
IUPAC NameN,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea
SMILESCC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.CN(C)C(=O)Oc1ccc(-c2cccc(CCC=O)c2)cc1.CN(C)C(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.CNC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.COC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.NC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.NC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1
InChIInChI=1S/C18H19NO3.C18H19NO2.C17H17NO3.2C17H17NO2.C16H16N2O2.C16H15NO2/c1-19(2)18(21)22-17-10-8-15(9-11-17)16-7-3-5-14(13-16)6-4-12-20;1-19(2)18(21)16-10-8-15(9-11-16)17-7-3-5-14(13-17)6-4-12-20;1-21-17(20)18-16-9-7-14(8-10-16)15-6-2-4-13(12-15)5-3-11-19;1-18-17(20)15-9-7-14(8-10-15)16-6-2-4-13(12-16)5-3-11-19;1-13(20)18-17-9-7-15(8-10-17)16-6-2-4-14(12-16)5-3-11-19;17-16(20)18-15-8-6-13(7-9-15)14-5-1-3-12(11-14)4-2-10-19;17-16(19)14-8-6-13(7-9-14)15-5-1-3-12(11-15)4-2-10-18/h3,5,7-13H,4,6H2,1-2H3;3,5,7-13H,4,6H2,1-2H3;2,4,6-12H,3,5H2,1H3,(H,18,20);2*2,4,6-12H,3,5H2,1H3,(H,18,20);1,3,5-11H,2,4H2,(H3,17,18,20);1,3,5-11H,2,4H2,(H2,17,19)
InChIKeyBUZONTMWFKXMDT-UHFFFAOYSA-N
XLogP22.24
TPSA364.08 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.31
LogP ≤ 522.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-carbamoylphenyl)phenyl] N-[4-(4-phenylpiperazin-1-yl)butyl]carbamate
CID 90467168
[4-(3-carbamoylphenyl)phenyl] N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]carbamate
CID 90467453
[4-[[(8-anilino-8-oxooctanoyl)amino]oxymethyl]phenyl] N-methyl-N-[2-[methyl-[(1S,2R)-2-[4-[3-(methylcarbamoyl)phenyl]phenyl]cyclopropyl]amino]ethyl]carbamate
CID 168274613
[4-[[(8-anilino-8-oxooctanoyl)amino]oxymethyl]phenyl] N-methyl-N-[2-[methyl-[(1R,2S)-2-[4-[3-(methylcarbamoyl)phenyl]phenyl]cyclopropyl]amino]ethyl]carbamate
CID 168278106
[4-[[(8-anilino-8-oxooctanoyl)amino]oxymethyl]phenyl] N-methyl-N-[2-[methyl-[2-[4-[3-(methylcarbamoyl)phenyl]phenyl]cyclopropyl]amino]ethyl]carbamate
CID 168297460
ethyl 3-[[4-[(2R,3S)-1-oxo-2-[4-(trifluoromethoxy)phenyl]-1-[4-(2,4,6-trimethylphenyl)anilino]hexan-3-yl]benzoyl]amino]propanoate
CID 132245685
ethyl 3-[[4-[(2S,3R)-1-oxo-2-[4-(trifluoromethoxy)phenyl]-1-[4-(2,4,6-trimethylphenyl)anilino]hexan-3-yl]benzoyl]amino]propanoate
CID 132245686
ethyl 3-[[4-[(2R,3R)-1-oxo-2-[4-(trifluoromethoxy)phenyl]-1-[4-(2,4,6-trimethylphenyl)anilino]hexan-3-yl]benzoyl]amino]propanoate
CID 132245712
ethyl 3-[[4-[(2S,3S)-1-oxo-2-[4-(trifluoromethoxy)phenyl]-1-[4-(2,4,6-trimethylphenyl)anilino]hexan-3-yl]benzoyl]amino]propanoate
CID 132245715
methanol;N-methyl-4-(2,4,6-trimethylphenyl)aniline;N-(3-oxopropyl)-4-[1-oxo-2-[4-(trifluoromethoxy)phenyl]hexan-3-yl]benzamide
CID 145417668
(2S,3R)-3-(4-formylphenyl)-2-[4-(trifluoromethoxy)phenyl]-N-[4-(2,4,6-trimethylphenyl)phenyl]hexanamide;3-(methylamino)propanoic acid
CID 145417672
N-[2-fluoro-4-(2,4,6-trimethylphenyl)phenyl]-3-(4-formylphenyl)-2-[4-(trifluoromethoxy)phenyl]propanamide;methoxyethane;3-(methylamino)propanal;propane;prop-1-ene
CID 145417678

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea?
The IUPAC name of N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea (CID 157470685) is N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea.
What is the SMILES notation for N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea?
The canonical SMILES for N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea is CC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.CN(C)C(=O)Oc1ccc(-c2cccc(CCC=O)c2)cc1.CN(C)C(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.CNC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.COC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.NC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1.NC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea?
The InChIKey is BUZONTMWFKXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C18H19NO2.C17H17NO3.2C17H17NO2.C16H16N2O2.C16H15NO2/c1-19(2)18(21)22-17-10-8-15(9-11-17)16-7-3-5-14(13-16)6-4-12-20;1-19(2)18(21)16-10-8-15(9-11-16)17-7-3-5-14(13-17)6-4-12-20;1-21-17(20)18-16-9-7-14(8-10-16)15-6-2-4-13(12-15)5-3-11-19;1-18-17(20)15-9-7-14(8-10-15)16-6-2-4-13(12-16)5-3-11-19;1-13(20)18-17-9-7-15(8-10-17)16-6-2-4-14(12-16)5-3-11-19;17-16(20)18-15-8-6-13(7-9-15)14-5-1-3-12(11-14)4-2-10-19;17-16(19)14-8-6-13(7-9-14)15-5-1-3-12(11-15)4-2-10-18/h3,5,7-13H,4,6H2,1-2H3;3,5,7-13H,4,6H2,1-2H3;2,4,6-12H,3,5H2,1H3,(H,18,20);2*2,4,6-12H,3,5H2,1H3,(H,18,20);1,3,5-11H,2,4H2,(H3,17,18,20);1,3,5-11H,2,4H2,(H2,17,19).
What are the key properties of N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea?
N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea has a molecular weight of 1918.31 g/mol, XLogP of 22.24, 35 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(3-oxopropyl)phenyl]benzamide;N-methyl-4-[3-(3-oxopropyl)phenyl]benzamide;methyl N-[4-[3-(3-oxopropyl)phenyl]phenyl]carbamate;4-[3-(3-oxopropyl)phenyl]benzamide;N-[4-[3-(3-oxopropyl)phenyl]phenyl]acetamide;[4-[3-(3-oxopropyl)phenyl]phenyl] N,N-dimethylcarbamate;[4-[3-(3-oxopropyl)phenyl]phenyl]urea is sourced from PubChem (CID 157470685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).