(3-methylphenyl) N-(cyclopentylmethyl)carbamate

C14H19NO2 — CID 141077229

IUPAC(3-methylphenyl) N-(cyclopentylmethyl)carbamate
SMILESCc1cccc(OC(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-5-4-8-13(9-11)17-14(16)15-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,15,16)
InChIKeyFKBCTOOZUMGPGJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.27
Rot. Bonds3

About (3-methylphenyl) N-(cyclopentylmethyl)carbamate

(3-methylphenyl) N-(cyclopentylmethyl)carbamate (PubChem CID 141077229) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-methylphenyl) N-(cyclopentylmethyl)carbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-(cyclopentylmethyl)carbamate
PubChem CID141077229
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-methylphenyl) N-(cyclopentylmethyl)carbamate
SMILESCc1cccc(OC(=O)NCC2CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11-5-4-8-13(9-11)17-14(16)15-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,15,16)
InChIKeyFKBCTOOZUMGPGJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443
phenyl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107415485
N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
CID 106131941
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
(3-methylphenyl) 2-(2,2-dimethylpropanoylamino)acetate
CID 110670400
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate
CID 140646332
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
(3-methylphenyl) N-benzoylcarbamate
CID 790837
bis(3-methylphenyl) bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 142747872
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
(3-methylphenyl) 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8764842

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-(cyclopentylmethyl)carbamate?
The IUPAC name of (3-methylphenyl) N-(cyclopentylmethyl)carbamate (CID 141077229) is (3-methylphenyl) N-(cyclopentylmethyl)carbamate.
What is the SMILES notation for (3-methylphenyl) N-(cyclopentylmethyl)carbamate?
The canonical SMILES for (3-methylphenyl) N-(cyclopentylmethyl)carbamate is Cc1cccc(OC(=O)NCC2CCCC2)c1.
What is the InChIKey of (3-methylphenyl) N-(cyclopentylmethyl)carbamate?
The InChIKey is FKBCTOOZUMGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-4-8-13(9-11)17-14(16)15-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,15,16).
What are the key properties of (3-methylphenyl) N-(cyclopentylmethyl)carbamate?
(3-methylphenyl) N-(cyclopentylmethyl)carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-(cyclopentylmethyl)carbamate is sourced from PubChem (CID 141077229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).