4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide

C18H21N3O2 — CID 54795591

IUPAC4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCc2cccc(N)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-21(2)18(23)14-7-9-16(10-8-14)20-17(22)11-6-13-4-3-5-15(19)12-13/h3-5,7-10,12H,6,11,19H2,1-2H3,(H,20,22)
InChIKeyFXDAXRCLURFQKH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.54
Rot. Bonds5

About 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide

4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide (PubChem CID 54795591) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
PubChem CID54795591
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CCc2cccc(N)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-21(2)18(23)14-7-9-16(10-8-14)20-17(22)11-6-13-4-3-5-15(19)12-13/h3-5,7-10,12H,6,11,19H2,1-2H3,(H,20,22)
InChIKeyFXDAXRCLURFQKH-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
CID 54795617
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide (CID 54795591) is 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CCc2cccc(N)c2)cc1.
What is the InChIKey of 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is FXDAXRCLURFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(2)18(23)14-7-9-16(10-8-14)20-17(22)11-6-13-4-3-5-15(19)12-13/h3-5,7-10,12H,6,11,19H2,1-2H3,(H,20,22).
What are the key properties of 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide?
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54795591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).