tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate

C16H23NO3 — CID 10934734

IUPACtert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COCc2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-15(2,3)20-14(18)17-16(9-10-16)12-19-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,18)
InChIKeyVJDUQKQZOYJKIX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.26
Rot. Bonds5

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

tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate (PubChem CID 10934734) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
PubChem CID10934734
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COCc2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-15(2,3)20-14(18)17-16(9-10-16)12-19-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,18)
InChIKeyVJDUQKQZOYJKIX-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
CID 118177257
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
trans-benzyl (1S,2S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 11023608
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
benzyl 3-fluoro-4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl]pyrrolidine-1-carboxylate;ethane
CID 142135211
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
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
trans-benzyl (1S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 15431586
3-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 154499539
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate (CID 10934734) is tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(COCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate?
The InChIKey is VJDUQKQZOYJKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2,3)20-14(18)17-16(9-10-16)12-19-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate?
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate is sourced from PubChem (CID 10934734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).