2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide

C20H22N2O2 — CID 167814895

IUPAC2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
SMILESCC(NC(=O)C1CCC1C(N)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-13(22-20(24)18-12-11-17(18)19(21)23)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3,(H2,21,23)(H,22,24)
InChIKeyVYGMHCVCNGLOKN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.04
Rot. Bonds5

About 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide

2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide (PubChem CID 167814895) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
PubChem CID167814895
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
SMILESCC(NC(=O)C1CCC1C(N)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-13(22-20(24)18-12-11-17(18)19(21)23)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3,(H2,21,23)(H,22,24)
InChIKeyVYGMHCVCNGLOKN-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976401
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide?
The IUPAC name of 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide (CID 167814895) is 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide is CC(NC(=O)C1CCC1C(N)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide?
The InChIKey is VYGMHCVCNGLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(22-20(24)18-12-11-17(18)19(21)23)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17-18H,11-12H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide?
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide is sourced from PubChem (CID 167814895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).