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

C26H35N3O2 — CID 46046193

IUPACN-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCCN(C)C)cc1
InChIInChI=1S/C26H35N3O2/c1-20-8-4-5-11-23(20)19-29(26(31)22-9-6-7-10-22)24-14-12-21(13-15-24)18-25(30)27-16-17-28(2)3/h4-5,8,11-15,22H,6-7,9-10,16-19H2,1-3H3,(H,27,30)
InChIKeyBVRCSHSBTMEPKK-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.94
Rot. Bonds9

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

N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide (PubChem CID 46046193) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
PubChem CID46046193
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCCN(C)C)cc1
InChIInChI=1S/C26H35N3O2/c1-20-8-4-5-11-23(20)19-29(26(31)22-9-6-7-10-22)24-14-12-21(13-15-24)18-25(30)27-16-17-28(2)3/h4-5,8,11-15,22H,6-7,9-10,16-19H2,1-3H3,(H,27,30)
InChIKeyBVRCSHSBTMEPKK-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46045707
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052660
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
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-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide (CID 46046193) is N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide is Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is BVRCSHSBTMEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-20-8-4-5-11-23(20)19-29(26(31)22-9-6-7-10-22)24-14-12-21(13-15-24)18-25(30)27-16-17-28(2)3/h4-5,8,11-15,22H,6-7,9-10,16-19H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide?
N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46046193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).