2-phenylmethoxyethyl N-cyclopropylcarbamate

C13H17NO3 — CID 141440519

IUPAC2-phenylmethoxyethyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OCCOCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(14-12-6-7-12)17-9-8-16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)
InChIKeyMZBOOTXDGVLIEA-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds6

About 2-phenylmethoxyethyl N-cyclopropylcarbamate

2-phenylmethoxyethyl N-cyclopropylcarbamate (PubChem CID 141440519) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-phenylmethoxyethyl N-cyclopropylcarbamate.

Molecular Properties

Compound Name2-phenylmethoxyethyl N-cyclopropylcarbamate
PubChem CID141440519
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-phenylmethoxyethyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OCCOCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(14-12-6-7-12)17-9-8-16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)
InChIKeyMZBOOTXDGVLIEA-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
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benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
2-phenylethyl N-(oxetan-3-yl)carbamate
CID 141187105
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethyl N-cyclopropylcarbamate?
The IUPAC name of 2-phenylmethoxyethyl N-cyclopropylcarbamate (CID 141440519) is 2-phenylmethoxyethyl N-cyclopropylcarbamate.
What is the SMILES notation for 2-phenylmethoxyethyl N-cyclopropylcarbamate?
The canonical SMILES for 2-phenylmethoxyethyl N-cyclopropylcarbamate is O=C(NC1CC1)OCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethyl N-cyclopropylcarbamate?
The InChIKey is MZBOOTXDGVLIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(14-12-6-7-12)17-9-8-16-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15).
What are the key properties of 2-phenylmethoxyethyl N-cyclopropylcarbamate?
2-phenylmethoxyethyl N-cyclopropylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethyl N-cyclopropylcarbamate is sourced from PubChem (CID 141440519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).