3-(1-acetylcyclopropyl)-N-phenylpropanamide

C14H17NO2 — CID 175883051

IUPAC3-(1-acetylcyclopropyl)-N-phenylpropanamide
SMILESCC(=O)C1(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c1-11(16)14(9-10-14)8-7-13(17)15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17)
InChIKeyGEUGYWCEDSNEHT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.77
Rot. Bonds5

About 3-(1-acetylcyclopropyl)-N-phenylpropanamide

3-(1-acetylcyclopropyl)-N-phenylpropanamide (PubChem CID 175883051) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-acetylcyclopropyl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(1-acetylcyclopropyl)-N-phenylpropanamide
PubChem CID175883051
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-(1-acetylcyclopropyl)-N-phenylpropanamide
SMILESCC(=O)C1(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c1-11(16)14(9-10-14)8-7-13(17)15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17)
InChIKeyGEUGYWCEDSNEHT-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-acetamido-N-phenylpropanamide
CID 7946185
3-oxo-N-phenylbutanamide
CID 161275903
3-fluoro-N-phenylpropanamide
CID 70366284
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
(3-anilino-3-oxopropyl)-trimethylazanium
CID 173269381
(3-anilino-3-oxopropyl)-dimethylsulfanium
CID 10786108
(2-anilino-2-oxoethyl)sulfanium
CID 153278909

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylcyclopropyl)-N-phenylpropanamide?
The IUPAC name of 3-(1-acetylcyclopropyl)-N-phenylpropanamide (CID 175883051) is 3-(1-acetylcyclopropyl)-N-phenylpropanamide.
What is the SMILES notation for 3-(1-acetylcyclopropyl)-N-phenylpropanamide?
The canonical SMILES for 3-(1-acetylcyclopropyl)-N-phenylpropanamide is CC(=O)C1(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 3-(1-acetylcyclopropyl)-N-phenylpropanamide?
The InChIKey is GEUGYWCEDSNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(16)14(9-10-14)8-7-13(17)15-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,15,17).
What are the key properties of 3-(1-acetylcyclopropyl)-N-phenylpropanamide?
3-(1-acetylcyclopropyl)-N-phenylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylcyclopropyl)-N-phenylpropanamide is sourced from PubChem (CID 175883051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).