5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane

C27H35N3O5 — CID 143994894

IUPAC5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane
SMILESCCC.CNC.COc1ccc(C(=O)NCc2cccc(-c3ccc(C(=O)NCC=O)o3)c2)cc1
InChIInChI=1S/C22H20N2O5.C3H8.C2H7N/c1-28-18-7-5-16(6-8-18)21(26)24-14-15-3-2-4-17(13-15)19-9-10-20(29-19)22(27)23-11-12-25;2*1-3-2/h2-10,12-13H,11,14H2,1H3,(H,23,27)(H,24,26);3H2,1-2H3;3H,1-2H3
InChIKeyKGPTULMAGZYFER-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.07
Rot. Bonds8

About 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane

5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane (PubChem CID 143994894) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane.

Molecular Properties

Compound Name5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane
PubChem CID143994894
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Name5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane
SMILESCCC.CNC.COc1ccc(C(=O)NCc2cccc(-c3ccc(C(=O)NCC=O)o3)c2)cc1
InChIInChI=1S/C22H20N2O5.C3H8.C2H7N/c1-28-18-7-5-16(6-8-18)21(26)24-14-15-3-2-4-17(13-15)19-9-10-20(29-19)22(27)23-11-12-25;2*1-3-2/h2-10,12-13H,11,14H2,1H3,(H,23,27)(H,24,26);3H2,1-2H3;3H,1-2H3
InChIKeyKGPTULMAGZYFER-UHFFFAOYSA-N
XLogP4.07
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane 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-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 143994860
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 91498180
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
5-(3-fluorophenyl)-N'-(4-methoxybenzoyl)furan-2-carbohydrazide
CID 24900154
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane?
The IUPAC name of 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane (CID 143994894) is 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane.
What is the SMILES notation for 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane?
The canonical SMILES for 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane is CCC.CNC.COc1ccc(C(=O)NCc2cccc(-c3ccc(C(=O)NCC=O)o3)c2)cc1.
What is the InChIKey of 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane?
The InChIKey is KGPTULMAGZYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5.C3H8.C2H7N/c1-28-18-7-5-16(6-8-18)21(26)24-14-15-3-2-4-17(13-15)19-9-10-20(29-19)22(27)23-11-12-25;2*1-3-2/h2-10,12-13H,11,14H2,1H3,(H,23,27)(H,24,26);3H2,1-2H3;3H,1-2H3.
What are the key properties of 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane?
5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane has a molecular weight of 481.59 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]-N-(2-oxoethyl)furan-2-carboxamide;N-methylmethanamine;propane is sourced from PubChem (CID 143994894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).