(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide

C14H18N2O2 — CID 9165607

IUPAC(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-10(17)15-13(11-5-3-2-4-6-11)9-14(18)16-12-7-8-12/h2-6,12-13H,7-9H2,1H3,(H,15,17)(H,16,18)/t13-/m0/s1
InChIKeyVNCSUAIFVHWMOL-ZDUSSCGKSA-N
MW246.31 g/mol
LogP1.53
Rot. Bonds5

About (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide

(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide (PubChem CID 9165607) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
PubChem CID9165607
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
SMILESCC(=O)N[C@@H](CC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-10(17)15-13(11-5-3-2-4-6-11)9-14(18)16-12-7-8-12/h2-6,12-13H,7-9H2,1H3,(H,15,17)(H,16,18)/t13-/m0/s1
InChIKeyVNCSUAIFVHWMOL-ZDUSSCGKSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132735
(3S)-3-acetamido-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenylpropanamide
CID 8590083
3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278
(3S)-3-acetamido-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-phenylpropanamide
CID 97027799
3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide
CID 112803125
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
(3S)-3-(carbamoylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-phenylpropanamide
CID 26130835
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide (CID 9165607) is (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide is CC(=O)N[C@@H](CC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide?
The InChIKey is VNCSUAIFVHWMOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)15-13(11-5-3-2-4-6-11)9-14(18)16-12-7-8-12/h2-6,12-13H,7-9H2,1H3,(H,15,17)(H,16,18)/t13-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide?
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide is sourced from PubChem (CID 9165607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).