phenyl N-[(3-methylcyclopentyl)methyl]carbamate

C14H19NO2 — CID 107415485

IUPACphenyl N-[(3-methylcyclopentyl)methyl]carbamate
SMILESCC1CCC(CNC(=O)Oc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-12(9-11)10-15-14(16)17-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16)
InChIKeyIOXKVOQSPWFBAF-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.21
Rot. Bonds3

About phenyl N-[(3-methylcyclopentyl)methyl]carbamate

phenyl N-[(3-methylcyclopentyl)methyl]carbamate (PubChem CID 107415485) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is phenyl N-[(3-methylcyclopentyl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(3-methylcyclopentyl)methyl]carbamate
PubChem CID107415485
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namephenyl N-[(3-methylcyclopentyl)methyl]carbamate
SMILESCC1CCC(CNC(=O)Oc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-12(9-11)10-15-14(16)17-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16)
InChIKeyIOXKVOQSPWFBAF-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(thiolan-3-ylmethyl)carbamate
CID 107298409
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
phenyl N-[[5-[(phenoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]carbamate
CID 21249452
(3-methylphenyl) N-(cyclopentylmethyl)carbamate
CID 141077229
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
(3-methylcyclopentyl)methylurea
CID 20542807
(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
CID 141050189
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3-methylcyclopentyl)methyl]carbamate?
The IUPAC name of phenyl N-[(3-methylcyclopentyl)methyl]carbamate (CID 107415485) is phenyl N-[(3-methylcyclopentyl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(3-methylcyclopentyl)methyl]carbamate?
The canonical SMILES for phenyl N-[(3-methylcyclopentyl)methyl]carbamate is CC1CCC(CNC(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl N-[(3-methylcyclopentyl)methyl]carbamate?
The InChIKey is IOXKVOQSPWFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-8-12(9-11)10-15-14(16)17-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16).
What are the key properties of phenyl N-[(3-methylcyclopentyl)methyl]carbamate?
phenyl N-[(3-methylcyclopentyl)methyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3-methylcyclopentyl)methyl]carbamate is sourced from PubChem (CID 107415485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).