(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide

C25H25NO2 — CID 101477981

IUPAC(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide
SMILESCOc1ccc([C@@H]2C[C@H]2[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-18(23-17-24(23)19-13-15-22(28-2)16-14-19)25(27)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23-24H,17H2,1-2H3/t18-,23-,24-/m0/s1
InChIKeyCRSGYXBRDMCDBA-NWVWQQAFSA-N
MW371.48 g/mol
LogP5.80
Rot. Bonds6

About (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide

(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide (PubChem CID 101477981) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide
PubChem CID101477981
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide
SMILESCOc1ccc([C@@H]2C[C@H]2[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-18(23-17-24(23)19-13-15-22(28-2)16-14-19)25(27)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23-24H,17H2,1-2H3/t18-,23-,24-/m0/s1
InChIKeyCRSGYXBRDMCDBA-NWVWQQAFSA-N
XLogP5.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide?
The IUPAC name of (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide (CID 101477981) is (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide.
What is the SMILES notation for (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide?
The canonical SMILES for (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide is COc1ccc([C@@H]2C[C@H]2[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide?
The InChIKey is CRSGYXBRDMCDBA-NWVWQQAFSA-N. The full InChI is InChI=1S/C25H25NO2/c1-18(23-17-24(23)19-13-15-22(28-2)16-14-19)25(27)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18,23-24H,17H2,1-2H3/t18-,23-,24-/m0/s1.
What are the key properties of (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide?
(2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-N,N-diphenylpropanamide is sourced from PubChem (CID 101477981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).