2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide

C14H21N3O2 — CID 61466661

IUPAC2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CCc1ccccc1N)C(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10(14(19)17(2)3)16-13(18)9-8-11-6-4-5-7-12(11)15/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeySAWFFAFJVOFZIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.79
Rot. Bonds5

About 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide

2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide (PubChem CID 61466661) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
PubChem CID61466661
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CCc1ccccc1N)C(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10(14(19)17(2)3)16-13(18)9-8-11-6-4-5-7-12(11)15/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeySAWFFAFJVOFZIC-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.79
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

methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethyl-3-phenylpropanamide;hydrochloride
CID 120610630
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide (CID 61466661) is 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide is CC(NC(=O)CCc1ccccc1N)C(=O)N(C)C.
What is the InChIKey of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide?
The InChIKey is SAWFFAFJVOFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(14(19)17(2)3)16-13(18)9-8-11-6-4-5-7-12(11)15/h4-7,10H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide?
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61466661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).