2-phenylethyl N-(2-cycloheptylethyl)carbamate

C18H27NO2 — CID 54473124

IUPAC2-phenylethyl N-(2-cycloheptylethyl)carbamate
SMILESO=C(NCCC1CCCCCC1)OCCc1ccccc1
InChIInChI=1S/C18H27NO2/c20-18(21-15-13-17-10-6-3-7-11-17)19-14-12-16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2,(H,19,20)
InChIKeyGWGZZFDBAKTFGU-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.32
Rot. Bonds6

About 2-phenylethyl N-(2-cycloheptylethyl)carbamate

2-phenylethyl N-(2-cycloheptylethyl)carbamate (PubChem CID 54473124) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-phenylethyl N-(2-cycloheptylethyl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(2-cycloheptylethyl)carbamate
PubChem CID54473124
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-phenylethyl N-(2-cycloheptylethyl)carbamate
SMILESO=C(NCCC1CCCCCC1)OCCc1ccccc1
InChIInChI=1S/C18H27NO2/c20-18(21-15-13-17-10-6-3-7-11-17)19-14-12-16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2,(H,19,20)
InChIKeyGWGZZFDBAKTFGU-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
2-phenylethyl 3-cyclopentylpropanoate
CID 568730
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
benzyl N-[2-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936859
benzyl N-[2-(9-thiabicyclo[3.3.1]nonan-3-yl)ethyl]carbamate
CID 171936866
benzyl N-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]carbamate
CID 171936856
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(2-cycloheptylethyl)carbamate?
The IUPAC name of 2-phenylethyl N-(2-cycloheptylethyl)carbamate (CID 54473124) is 2-phenylethyl N-(2-cycloheptylethyl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(2-cycloheptylethyl)carbamate?
The canonical SMILES for 2-phenylethyl N-(2-cycloheptylethyl)carbamate is O=C(NCCC1CCCCCC1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-(2-cycloheptylethyl)carbamate?
The InChIKey is GWGZZFDBAKTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-18(21-15-13-17-10-6-3-7-11-17)19-14-12-16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2,(H,19,20).
What are the key properties of 2-phenylethyl N-(2-cycloheptylethyl)carbamate?
2-phenylethyl N-(2-cycloheptylethyl)carbamate has a molecular weight of 289.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(2-cycloheptylethyl)carbamate is sourced from PubChem (CID 54473124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).