methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate

C16H21N3O4 — CID 75395789

IUPACmethyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate
SMILESCNC(=O)C1CCCC1NC(=O)c1cccc(NC(=O)OC)c1
InChIInChI=1S/C16H21N3O4/c1-17-15(21)12-7-4-8-13(12)19-14(20)10-5-3-6-11(9-10)18-16(22)23-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWMMMZEOJMBJTPJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.51
Rot. Bonds4

About methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate

methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate (PubChem CID 75395789) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate
PubChem CID75395789
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemethyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate
SMILESCNC(=O)C1CCCC1NC(=O)c1cccc(NC(=O)OC)c1
InChIInChI=1S/C16H21N3O4/c1-17-15(21)12-7-4-8-13(12)19-14(20)10-5-3-6-11(9-10)18-16(22)23-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWMMMZEOJMBJTPJ-UHFFFAOYSA-N
XLogP1.51
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide
CID 6598954
3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920330
cis-(1R,2S)-2-[[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]-N-methylcyclopentane-1-carboxamide
CID 124873357
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
1-(3-chlorophenyl)-N-[2-(methylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 146124166
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate (CID 75395789) is methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate is CNC(=O)C1CCCC1NC(=O)c1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate?
The InChIKey is WMMMZEOJMBJTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-17-15(21)12-7-4-8-13(12)19-14(20)10-5-3-6-11(9-10)18-16(22)23-2/h3,5-6,9,12-13H,4,7-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate?
methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[2-(methylcarbamoyl)cyclopentyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 75395789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).