N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide

C29H32N2O2 — CID 46045707

IUPACN-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C29H32N2O2/c1-22-9-5-6-14-26(22)21-31(29(33)25-12-7-8-13-25)27-17-15-23(16-18-27)19-28(32)30-20-24-10-3-2-4-11-24/h2-6,9-11,14-18,25H,7-8,12-13,19-21H2,1H3,(H,30,32)
InChIKeyTVOWNWCGFOCQEV-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.58
Rot. Bonds8

About N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide

N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide (PubChem CID 46045707) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
PubChem CID46045707
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C29H32N2O2/c1-22-9-5-6-14-26(22)21-31(29(33)25-12-7-8-13-25)27-17-15-23(16-18-27)19-28(32)30-20-24-10-3-2-4-11-24/h2-6,9-11,14-18,25H,7-8,12-13,19-21H2,1H3,(H,30,32)
InChIKeyTVOWNWCGFOCQEV-UHFFFAOYSA-N
XLogP5.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide (CID 46045707) is N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide is Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is TVOWNWCGFOCQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-22-9-5-6-14-26(22)21-31(29(33)25-12-7-8-13-25)27-17-15-23(16-18-27)19-28(32)30-20-24-10-3-2-4-11-24/h2-6,9-11,14-18,25H,7-8,12-13,19-21H2,1H3,(H,30,32).
What are the key properties of N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46045707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).