N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide

C25H32N2O2 — CID 46052504

IUPACN-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCC(C)CNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-19(2)17-26-24(28)16-20-12-14-23(15-13-20)27(18-21-8-4-3-5-9-21)25(29)22-10-6-7-11-22/h3-5,8-9,12-15,19,22H,6-7,10-11,16-18H2,1-2H3,(H,26,28)
InChIKeyBATNVEJAHOIDDA-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.72
Rot. Bonds8

About N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide

N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide (PubChem CID 46052504) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
PubChem CID46052504
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESCC(C)CNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C25H32N2O2/c1-19(2)17-26-24(28)16-20-12-14-23(15-13-20)27(18-21-8-4-3-5-9-21)25(29)22-10-6-7-11-22/h3-5,8-9,12-15,19,22H,6-7,10-11,16-18H2,1-2H3,(H,26,28)
InChIKeyBATNVEJAHOIDDA-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46045707
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794
N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046193
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46045906
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]cyclopentanecarboxamide
CID 46052623
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 46052446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide (CID 46052504) is N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide is CC(C)CNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is BATNVEJAHOIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-19(2)17-26-24(28)16-20-12-14-23(15-13-20)27(18-21-8-4-3-5-9-21)25(29)22-10-6-7-11-22/h3-5,8-9,12-15,19,22H,6-7,10-11,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46052504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).