3-phenylpropyl N-(2-cyclopentylethyl)carbamate

C17H25NO2 — CID 54331746

IUPAC3-phenylpropyl N-(2-cyclopentylethyl)carbamate
SMILESO=C(NCCC1CCCC1)OCCCc1ccccc1
InChIInChI=1S/C17H25NO2/c19-17(18-13-12-16-9-4-5-10-16)20-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,18,19)
InChIKeyQCIATCSDFYNCRE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.93
Rot. Bonds7

About 3-phenylpropyl N-(2-cyclopentylethyl)carbamate

3-phenylpropyl N-(2-cyclopentylethyl)carbamate (PubChem CID 54331746) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-phenylpropyl N-(2-cyclopentylethyl)carbamate.

Molecular Properties

Compound Name3-phenylpropyl N-(2-cyclopentylethyl)carbamate
PubChem CID54331746
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-phenylpropyl N-(2-cyclopentylethyl)carbamate
SMILESO=C(NCCC1CCCC1)OCCCc1ccccc1
InChIInChI=1S/C17H25NO2/c19-17(18-13-12-16-9-4-5-10-16)20-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,18,19)
InChIKeyQCIATCSDFYNCRE-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
benzyl N-[2-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936859
butyl N-(5-phenylpentyl)carbamate
CID 69404409
4-O-(cyclohexylmethyl) 1-O-(3-phenylpropyl) (E)-but-2-enedioate
CID 91710137
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl N-(2-cyclopentylethyl)carbamate?
The IUPAC name of 3-phenylpropyl N-(2-cyclopentylethyl)carbamate (CID 54331746) is 3-phenylpropyl N-(2-cyclopentylethyl)carbamate.
What is the SMILES notation for 3-phenylpropyl N-(2-cyclopentylethyl)carbamate?
The canonical SMILES for 3-phenylpropyl N-(2-cyclopentylethyl)carbamate is O=C(NCCC1CCCC1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-(2-cyclopentylethyl)carbamate?
The InChIKey is QCIATCSDFYNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(18-13-12-16-9-4-5-10-16)20-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,18,19).
What are the key properties of 3-phenylpropyl N-(2-cyclopentylethyl)carbamate?
3-phenylpropyl N-(2-cyclopentylethyl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-(2-cyclopentylethyl)carbamate is sourced from PubChem (CID 54331746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).