2-(cyclopropylamino)-3-phenylpropanamide

C12H16N2O — CID 60796180

IUPAC2-(cyclopropylamino)-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC1CC1
InChIInChI=1S/C12H16N2O/c13-12(15)11(14-10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)
InChIKeyYFFIUHBJXMUKSX-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.83
Rot. Bonds5

About 2-(cyclopropylamino)-3-phenylpropanamide

2-(cyclopropylamino)-3-phenylpropanamide (PubChem CID 60796180) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-phenylpropanamide
PubChem CID60796180
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(cyclopropylamino)-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC1CC1
InChIInChI=1S/C12H16N2O/c13-12(15)11(14-10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15)
InChIKeyYFFIUHBJXMUKSX-UHFFFAOYSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131906221
(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131897552
(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide
CID 67518903
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
CID 112514377
(2R)-2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037836
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-phenylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-3-phenylpropanamide (CID 60796180) is 2-(cyclopropylamino)-3-phenylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-phenylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-phenylpropanamide?
The InChIKey is YFFIUHBJXMUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(15)11(14-10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H2,13,15).
What are the key properties of 2-(cyclopropylamino)-3-phenylpropanamide?
2-(cyclopropylamino)-3-phenylpropanamide has a molecular weight of 204.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-phenylpropanamide is sourced from PubChem (CID 60796180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).