tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate

C17H25NO3 — CID 118177257

IUPACtert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCOCc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-17(9-10-17)11-12-20-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,19)
InChIKeyQCMIAGOLQGZPRG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.65
Rot. Bonds6

About tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate

tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate (PubChem CID 118177257) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
PubChem CID118177257
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCOCc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-17(9-10-17)11-12-20-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,19)
InChIKeyQCMIAGOLQGZPRG-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.65
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

tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
CID 67428133
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-phenylmethoxyethyl)azetidine-2-carboxylic acid
CID 134128408
tert-butyl N-[(1S)-1-methyl-2-phenylmethoxycyclobutyl]carbamate
CID 70826140
benzyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]propanoate
CID 135742613
1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide
CID 166277791
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2-phenylmethoxyethyl)cyclopropyl]propanamide
CID 166417931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate (CID 118177257) is tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(CCOCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate?
The InChIKey is QCMIAGOLQGZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-17(9-10-17)11-12-20-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate?
tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate is sourced from PubChem (CID 118177257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).