2-phenylethyl N-(cyclopentylmethyl)carbamate

C15H21NO2 — CID 57081280

IUPAC2-phenylethyl N-(cyclopentylmethyl)carbamate
SMILESO=C(NCC1CCCC1)OCCc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(16-12-14-8-4-5-9-14)18-11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)
InChIKeyNVLCWNIRARMOSD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds5

About 2-phenylethyl N-(cyclopentylmethyl)carbamate

2-phenylethyl N-(cyclopentylmethyl)carbamate (PubChem CID 57081280) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-phenylethyl N-(cyclopentylmethyl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(cyclopentylmethyl)carbamate
PubChem CID57081280
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-phenylethyl N-(cyclopentylmethyl)carbamate
SMILESO=C(NCC1CCCC1)OCCc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(16-12-14-8-4-5-9-14)18-11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)
InChIKeyNVLCWNIRARMOSD-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
2-phenylethyl 3-cyclopentylpropanoate
CID 568730
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
benzyl N-(thian-3-ylmethyl)carbamate
CID 130813410
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(cyclopentylmethyl)carbamate?
The IUPAC name of 2-phenylethyl N-(cyclopentylmethyl)carbamate (CID 57081280) is 2-phenylethyl N-(cyclopentylmethyl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(cyclopentylmethyl)carbamate?
The canonical SMILES for 2-phenylethyl N-(cyclopentylmethyl)carbamate is O=C(NCC1CCCC1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-(cyclopentylmethyl)carbamate?
The InChIKey is NVLCWNIRARMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(16-12-14-8-4-5-9-14)18-11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17).
What are the key properties of 2-phenylethyl N-(cyclopentylmethyl)carbamate?
2-phenylethyl N-(cyclopentylmethyl)carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(cyclopentylmethyl)carbamate is sourced from PubChem (CID 57081280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).