N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide

C22H27N3O2 — CID 46537087

IUPACN-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C22H27N3O2/c1-25(17-19-12-6-3-7-13-19)20(26)22(14-8-9-15-22)24-21(27)23-16-18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3,(H2,23,24,27)
InChIKeyQQVRADJAWSDPTJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.46
Rot. Bonds6

About N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide

N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide (PubChem CID 46537087) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
PubChem CID46537087
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C22H27N3O2/c1-25(17-19-12-6-3-7-13-19)20(26)22(14-8-9-15-22)24-21(27)23-16-18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3,(H2,23,24,27)
InChIKeyQQVRADJAWSDPTJ-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 55534687
1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
CID 39948049
1-(benzylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 55618250
1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 46537645
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 36704616
3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylbenzoic acid
CID 119219361
1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide (CID 46537087) is N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide is CN(Cc1ccccc1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1.
What is the InChIKey of N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide?
The InChIKey is QQVRADJAWSDPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(17-19-12-6-3-7-13-19)20(26)22(14-8-9-15-22)24-21(27)23-16-18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3,(H2,23,24,27).
What are the key properties of N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide?
N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 46537087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).