N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide

C18H19N3O3 — CID 71871569

IUPACN-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(NC=O)cc2)c1
InChIInChI=1S/C18H19N3O3/c1-2-19-18(24)15-5-3-4-13(10-15)11-20-17(23)14-6-8-16(9-7-14)21-12-22/h3-10,12H,2,11H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyNFOSPMRQFKPADI-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds7

About N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide

N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide (PubChem CID 71871569) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
PubChem CID71871569
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(NC=O)cc2)c1
InChIInChI=1S/C18H19N3O3/c1-2-19-18(24)15-5-3-4-13(10-15)11-20-17(23)14-6-8-16(9-7-14)21-12-22/h3-10,12H,2,11H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyNFOSPMRQFKPADI-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]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

3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide;hydroiodide
CID 110917648
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
N-ethyl-3-[[[2-(2-formylphenoxy)acetyl]amino]methyl]benzamide
CID 60513737

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide (CID 71871569) is N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide is CCNC(=O)c1cccc(CNC(=O)c2ccc(NC=O)cc2)c1.
What is the InChIKey of N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide?
The InChIKey is NFOSPMRQFKPADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-19-18(24)15-5-3-4-13(10-15)11-20-17(23)14-6-8-16(9-7-14)21-12-22/h3-10,12H,2,11H2,1H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide?
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 71871569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).