N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide

C22H26N2O2 — CID 46986234

IUPACN'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCc1ccccc1-c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-21(14-15-22(26)24-19-11-5-6-12-19)23-16-18-10-4-7-13-20(18)17-8-2-1-3-9-17/h1-4,7-10,13,19H,5-6,11-12,14-16H2,(H,23,25)(H,24,26)
InChIKeyGQJWAHPFDPOWQC-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.81
Rot. Bonds7

About N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide

N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide (PubChem CID 46986234) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide
PubChem CID46986234
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCc1ccccc1-c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-21(14-15-22(26)24-19-11-5-6-12-19)23-16-18-10-4-7-13-20(18)17-8-2-1-3-9-17/h1-4,7-10,13,19H,5-6,11-12,14-16H2,(H,23,25)(H,24,26)
InChIKeyGQJWAHPFDPOWQC-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
CID 46995343
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
(2-phenylphenyl)methylurea
CID 67020414
N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
CID 2959299
N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N'-cyclopentylbutanediamide
CID 46999941
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
CID 71862995
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide?
The IUPAC name of N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide (CID 46986234) is N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide?
The canonical SMILES for N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide is O=C(CCC(=O)NC1CCCC1)NCc1ccccc1-c1ccccc1.
What is the InChIKey of N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide?
The InChIKey is GQJWAHPFDPOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(14-15-22(26)24-19-11-5-6-12-19)23-16-18-10-4-7-13-20(18)17-8-2-1-3-9-17/h1-4,7-10,13,19H,5-6,11-12,14-16H2,(H,23,25)(H,24,26).
What are the key properties of N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide?
N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide has a molecular weight of 350.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide is sourced from PubChem (CID 46986234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).