2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide

C15H21NO — CID 118334207

IUPAC2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
SMILESCC(C)C(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H21NO/c1-10(2)11(3)15(17)16-14-9-13(14)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3,(H,16,17)/t11?,13-,14+/m1/s1
InChIKeyMDCGDHKXCDGRDU-WLPIGLKUSA-N
MW231.34 g/mol
LogP2.95
Rot. Bonds4

About 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide

2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide (PubChem CID 118334207) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
PubChem CID118334207
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
SMILESCC(C)C(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C15H21NO/c1-10(2)11(3)15(17)16-14-9-13(14)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3,(H,16,17)/t11?,13-,14+/m1/s1
InChIKeyMDCGDHKXCDGRDU-WLPIGLKUSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S,2S)-2-phenylcyclopropyl]propanamide
CID 124860159
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
(2S)-2-amino-2-phenyl-N-(2-phenylcyclopropyl)acetamide
CID 104897747
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
CID 107027061
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide?
The IUPAC name of 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide (CID 118334207) is 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide?
The canonical SMILES for 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide is CC(C)C(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide?
The InChIKey is MDCGDHKXCDGRDU-WLPIGLKUSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)11(3)15(17)16-14-9-13(14)12-7-5-4-6-8-12/h4-8,10-11,13-14H,9H2,1-3H3,(H,16,17)/t11?,13-,14+/m1/s1.
What are the key properties of 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide?
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide has a molecular weight of 231.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide is sourced from PubChem (CID 118334207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).