N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide

C16H21NO2 — CID 118912261

IUPACN-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc(C)c1CC=O
InChIInChI=1S/C16H21NO2/c1-3-16(19)17-10-12-9-15(12)14-6-4-5-11(2)13(14)7-8-18/h4-6,8,12,15H,3,7,9-10H2,1-2H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyGLWOQGLPLQSLEA-SWLSCSKDSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds6

About N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide

N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide (PubChem CID 118912261) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide
PubChem CID118912261
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc(C)c1CC=O
InChIInChI=1S/C16H21NO2/c1-3-16(19)17-10-12-9-15(12)14-6-4-5-11(2)13(14)7-8-18/h4-6,8,12,15H,3,7,9-10H2,1-2H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyGLWOQGLPLQSLEA-SWLSCSKDSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide?
The IUPAC name of N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide (CID 118912261) is N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide.
What is the SMILES notation for N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide?
The canonical SMILES for N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide is CCC(=O)NC[C@@H]1C[C@H]1c1cccc(C)c1CC=O.
What is the InChIKey of N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide?
The InChIKey is GLWOQGLPLQSLEA-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-16(19)17-10-12-9-15(12)14-6-4-5-11(2)13(14)7-8-18/h4-6,8,12,15H,3,7,9-10H2,1-2H3,(H,17,19)/t12-,15+/m0/s1.
What are the key properties of N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide?
N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-[3-methyl-2-(2-oxoethyl)phenyl]cyclopropyl]methyl]propanamide is sourced from PubChem (CID 118912261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).