N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide

C23H28N4O3 — CID 55972370

IUPACN-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)ccc1C
InChIInChI=1S/C23H28N4O3/c1-16-10-11-19(14-20(16)25-17(2)28)26-21(29)23(12-6-7-13-23)27-22(30)24-15-18-8-4-3-5-9-18/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,25,28)(H,26,29)(H2,24,27,30)
InChIKeyZHUXAOYKYOWRCX-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.70
Rot. Bonds6

About N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide

N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide (PubChem CID 55972370) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
PubChem CID55972370
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)ccc1C
InChIInChI=1S/C23H28N4O3/c1-16-10-11-19(14-20(16)25-17(2)28)26-21(29)23(12-6-7-13-23)27-22(30)24-15-18-8-4-3-5-9-18/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,25,28)(H,26,29)(H2,24,27,30)
InChIKeyZHUXAOYKYOWRCX-UHFFFAOYSA-N
XLogP3.70
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylbenzoic acid
CID 119219361
1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 36704616
1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019994
1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
CID 55617288
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123
1-acetamido-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide
CID 55819946
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide (CID 55972370) is N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide is CC(=O)Nc1cc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
The InChIKey is ZHUXAOYKYOWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-10-11-19(14-20(16)25-17(2)28)26-21(29)23(12-6-7-13-23)27-22(30)24-15-18-8-4-3-5-9-18/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,25,28)(H,26,29)(H2,24,27,30).
What are the key properties of N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 55972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).