1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C19H21NO3 — CID 140736987

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2(C(N)=O)[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-23-15-9-7-14(8-10-15)16-11-19(16,18(20)22)17(12-21)13-5-3-2-4-6-13/h2-10,16-17,21H,11-12H2,1H3,(H2,20,22)/t16?,17-,19?/m1/s1
InChIKeyXAAWPGRAISZPPL-TVRKMHQQSA-N
MW311.38 g/mol
LogP2.43
Rot. Bonds6

About 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 140736987) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID140736987
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2(C(N)=O)[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-23-15-9-7-14(8-10-15)16-11-19(16,18(20)22)17(12-21)13-5-3-2-4-6-13/h2-10,16-17,21H,11-12H2,1H3,(H2,20,22)/t16?,17-,19?/m1/s1
InChIKeyXAAWPGRAISZPPL-TVRKMHQQSA-N
XLogP2.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 140736987) is 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2CC2(C(N)=O)[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XAAWPGRAISZPPL-TVRKMHQQSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-15-9-7-14(8-10-15)16-11-19(16,18(20)22)17(12-21)13-5-3-2-4-6-13/h2-10,16-17,21H,11-12H2,1H3,(H2,20,22)/t16?,17-,19?/m1/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 140736987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).