benzyl N-(2-phenylcyclopropyl)carbamate

C17H17NO2 — CID 12682022

IUPACbenzyl N-(2-phenylcyclopropyl)carbamate
SMILESO=C(NC1CC1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20-12-13-7-3-1-4-8-13)18-16-11-15(16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)
InChIKeyVSYNWXQJBMFDGU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.47
Rot. Bonds4

About benzyl N-(2-phenylcyclopropyl)carbamate

benzyl N-(2-phenylcyclopropyl)carbamate (PubChem CID 12682022) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl N-(2-phenylcyclopropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-phenylcyclopropyl)carbamate
PubChem CID12682022
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl N-(2-phenylcyclopropyl)carbamate
SMILESO=C(NC1CC1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(20-12-13-7-3-1-4-8-13)18-16-11-15(16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)
InChIKeyVSYNWXQJBMFDGU-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
CID 79348552
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
CID 101208445
benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
CID 18395376
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-phenylcyclopropyl)carbamate?
The IUPAC name of benzyl N-(2-phenylcyclopropyl)carbamate (CID 12682022) is benzyl N-(2-phenylcyclopropyl)carbamate.
What is the SMILES notation for benzyl N-(2-phenylcyclopropyl)carbamate?
The canonical SMILES for benzyl N-(2-phenylcyclopropyl)carbamate is O=C(NC1CC1c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-phenylcyclopropyl)carbamate?
The InChIKey is VSYNWXQJBMFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20-12-13-7-3-1-4-8-13)18-16-11-15(16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19).
What are the key properties of benzyl N-(2-phenylcyclopropyl)carbamate?
benzyl N-(2-phenylcyclopropyl)carbamate has a molecular weight of 267.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-phenylcyclopropyl)carbamate is sourced from PubChem (CID 12682022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).