4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide

C18H21N3O2 — CID 54795720

IUPAC4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-11-20-18(23)14-5-9-16(10-6-14)21-17(22)12-13-3-7-15(19)8-4-13/h3-10H,2,11-12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIZLFIPDAGWPFY-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.59
Rot. Bonds6

About 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide

4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide (PubChem CID 54795720) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
PubChem CID54795720
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-11-20-18(23)14-5-9-16(10-6-14)21-17(22)12-13-3-7-15(19)8-4-13/h3-10H,2,11-12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIZLFIPDAGWPFY-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
N-propyl-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
CID 154835109
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
ethane;4-ethyl-N-propylbenzamide
CID 142831348

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide (CID 54795720) is 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide?
The InChIKey is QIZLFIPDAGWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-11-20-18(23)14-5-9-16(10-6-14)21-17(22)12-13-3-7-15(19)8-4-13/h3-10H,2,11-12,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide?
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54795720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).