N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C21H25NO2 — CID 125172799

IUPACN-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C21H25NO2/c1-24-16-21(13-8-14-21)20(23)22-19(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13-16H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyZOMCFOXSBIAIQO-IBGZPJMESA-N
MW323.44 g/mol
LogP3.90
Rot. Bonds7

About N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 125172799) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID125172799
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C21H25NO2/c1-24-16-21(13-8-14-21)20(23)22-19(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13-16H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyZOMCFOXSBIAIQO-IBGZPJMESA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-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 N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 125172799) is N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCC1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is ZOMCFOXSBIAIQO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-16-21(13-8-14-21)20(23)22-19(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13-16H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 125172799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).