4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide

C30H33N3O5 — CID 170764253

IUPAC4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCc1cc(C(N)=O)ccc1-c1cccc(CN2CCOCC2)c1.O=CNC1(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C19H22N2O2.C11H11NO3/c1-14-11-17(19(20)22)5-6-18(14)16-4-2-3-15(12-16)13-21-7-9-23-10-8-21;13-7-12-11(5-6-11)9-3-1-8(2-4-9)10(14)15/h2-6,11-12H,7-10,13H2,1H3,(H2,20,22);1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKeyJMOJMKARYJLOQB-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.71
Rot. Bonds8

About 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide

4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 170764253) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID170764253
Molecular FormulaC30H33N3O5
Molecular Weight515.61 g/mol
Exact Mass515.24
IUPAC Name4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCc1cc(C(N)=O)ccc1-c1cccc(CN2CCOCC2)c1.O=CNC1(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C19H22N2O2.C11H11NO3/c1-14-11-17(19(20)22)5-6-18(14)16-4-2-3-15(12-16)13-21-7-9-23-10-8-21;13-7-12-11(5-6-11)9-3-1-8(2-4-9)10(14)15/h2-6,11-12H,7-10,13H2,1H3,(H2,20,22);1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKeyJMOJMKARYJLOQB-UHFFFAOYSA-N
XLogP3.71
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide 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

N-[1-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]ethyl]formamide;4-[3-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-methylbenzamide
CID 170764322
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
4-[1-[[2-[[3-(2-methyl-4-sulfamoylphenyl)phenyl]methyl]-2-azabicyclo[2.1.1]hexane-1-carbonyl]amino]cyclopropyl]benzoic acid
CID 170764117
4-[(1S)-1-[[(2R,4R)-1-[[3-(4-carbamoyl-2-methylphenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 170764122
4-[(1S)-1-[[(3R)-4-[[3-(4-carbamoyl-2-hydroxyphenyl)phenyl]methyl]morpholine-3-carbonyl]amino]ethyl]benzoic acid
CID 170764319
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
CID 58276465
4-fluoro-N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-3,5-dimethylbenzamide
CID 137376792
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731

Frequently Asked Questions

What is the IUPAC name of 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide (CID 170764253) is 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide is Cc1cc(C(N)=O)ccc1-c1cccc(CN2CCOCC2)c1.O=CNC1(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is JMOJMKARYJLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C11H11NO3/c1-14-11-17(19(20)22)5-6-18(14)16-4-2-3-15(12-16)13-21-7-9-23-10-8-21;13-7-12-11(5-6-11)9-3-1-8(2-4-9)10(14)15/h2-6,11-12H,7-10,13H2,1H3,(H2,20,22);1-4,7H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide?
4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 515.61 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-formamidocyclopropyl)benzoic acid;3-methyl-4-[3-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 170764253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).