benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate

C17H23NO2 — CID 169081481

IUPACbenzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(C1CC1)C1CC1
InChIInChI=1S/C17H23NO2/c1-12(16(14-7-8-14)15-9-10-15)18-17(19)20-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,18,19)
InChIKeyJAJQPAOZBHBZPT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.74
Rot. Bonds6

About benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate

benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate (PubChem CID 169081481) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
PubChem CID169081481
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namebenzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(C1CC1)C1CC1
InChIInChI=1S/C17H23NO2/c1-12(16(14-7-8-14)15-9-10-15)18-17(19)20-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,18,19)
InChIKeyJAJQPAOZBHBZPT-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3,3-dicyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 168869008
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
benzyl N-[(2S)-4-bromo-1,1-dicyclopropyl-3-oxobutan-2-yl]carbamate
CID 170598932
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl N-[(2S)-1,1-dicyclopropyl-4-[dimethyl(oxo)-λ6-sulfanylidene]-3-oxobutan-2-yl]carbamate
CID 171775292
benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
CID 59178384
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate?
The IUPAC name of benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate (CID 169081481) is benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate is CC(NC(=O)OCc1ccccc1)C(C1CC1)C1CC1.
What is the InChIKey of benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate?
The InChIKey is JAJQPAOZBHBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(16(14-7-8-14)15-9-10-15)18-17(19)20-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,18,19).
What are the key properties of benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate?
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate has a molecular weight of 273.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate is sourced from PubChem (CID 169081481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).