(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

Promecarb
CID 17516
Metolcarb
CID 14322
M-Cumenyl Methylcarbamate
CID 6143
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
3,5-Xylyl Methylcarbamate
CID 17563
Xylylcarb
CID 17040
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643
Promacyl
CID 36733
Phenol, 3,5-bis(1-methylethyl)-, 1-(N-methylcarbamate)
CID 9503
N-(3-(3-methoxyphenyl)propyl)acetamide
CID 10750842
Phenol, 2-cyclopentyl-, 1-(N-methylcarbamate)
CID 18666
Fenethacarb
CID 34810

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).