N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide

C26H30N2O2 — CID 143142608

IUPACN-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide
SMILESCCCCC(=O)NC1(C(=O)CCc2ccc(-c3ccccc3C#N)cc2)CCCC1
InChIInChI=1S/C26H30N2O2/c1-2-3-10-25(30)28-26(17-6-7-18-26)24(29)16-13-20-11-14-21(15-12-20)23-9-5-4-8-22(23)19-27/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13,16-18H2,1H3,(H,28,30)
InChIKeyWXHXLKSVBFKFCS-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.35
Rot. Bonds9

About N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide

N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide (PubChem CID 143142608) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide.

Molecular Properties

Compound NameN-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide
PubChem CID143142608
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide
SMILESCCCCC(=O)NC1(C(=O)CCc2ccc(-c3ccccc3C#N)cc2)CCCC1
InChIInChI=1S/C26H30N2O2/c1-2-3-10-25(30)28-26(17-6-7-18-26)24(29)16-13-20-11-14-21(15-12-20)23-9-5-4-8-22(23)19-27/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13,16-18H2,1H3,(H,28,30)
InChIKeyWXHXLKSVBFKFCS-UHFFFAOYSA-N
XLogP5.35
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide
CID 175059823
2-[4-[(Z)-3-amino-2-formylhept-2-enyl]phenyl]benzonitrile
CID 143886533
methyl (2R)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 66577388
[(1R,2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]cyclohexyl] ethyl carbonate
CID 70044488
2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-oxo-2-propan-2-ylheptanoic acid
CID 59718054
2-[4-[2-(2-methoxyacetyl)-3-oxoheptyl]phenyl]benzonitrile
CID 10384107
N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
CID 166239850
N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide
CID 68618020
N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]butanamide
CID 19012299
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethyl-2-oxopyridine-3-carboxamide
CID 19012366

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide?
The IUPAC name of N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide (CID 143142608) is N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide.
What is the SMILES notation for N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide?
The canonical SMILES for N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide is CCCCC(=O)NC1(C(=O)CCc2ccc(-c3ccccc3C#N)cc2)CCCC1.
What is the InChIKey of N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide?
The InChIKey is WXHXLKSVBFKFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-3-10-25(30)28-26(17-6-7-18-26)24(29)16-13-20-11-14-21(15-12-20)23-9-5-4-8-22(23)19-27/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13,16-18H2,1H3,(H,28,30).
What are the key properties of N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide?
N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide has a molecular weight of 402.54 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(2-cyanophenyl)phenyl]propanoyl]cyclopentyl]pentanamide is sourced from PubChem (CID 143142608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).