4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide

C18H21N3O2 — CID 54795405

IUPAC4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-20-18(23)14-6-10-16(11-7-14)21-17(22)12-5-13-3-8-15(19)9-4-13/h3-4,6-11H,2,5,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyMNIRQTOFIWFEFF-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.59
Rot. Bonds6

About 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide

4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide (PubChem CID 54795405) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
PubChem CID54795405
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-20-18(23)14-6-10-16(11-7-14)21-17(22)12-5-13-3-8-15(19)9-4-13/h3-4,6-11H,2,5,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyMNIRQTOFIWFEFF-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

N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide?
The IUPAC name of 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide (CID 54795405) is 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide?
The canonical SMILES for 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide?
The InChIKey is MNIRQTOFIWFEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-20-18(23)14-6-10-16(11-7-14)21-17(22)12-5-13-3-8-15(19)9-4-13/h3-4,6-11H,2,5,12,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide?
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide 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-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 54795405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).