benzyl N,N-di(propan-2-yl)carbamate

C14H21NO2 — CID 11053622

IUPACbenzyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyKENFRORLALVLLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds4

About benzyl N,N-di(propan-2-yl)carbamate

benzyl N,N-di(propan-2-yl)carbamate (PubChem CID 11053622) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is benzyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N,N-di(propan-2-yl)carbamate
PubChem CID11053622
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebenzyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyKENFRORLALVLLB-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
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Benzyl 4-oxopiperidine-1-carboxylate
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benzyl N-methylcarbamate
CID 562265
Z-D-Prolinol
CID 5314177
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
Benzyl dimethylcarbamate
CID 12963450
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
benzyl N-(3-aminopropyl)carbamate hydrochloride
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Frequently Asked Questions

What is the IUPAC name of benzyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of benzyl N,N-di(propan-2-yl)carbamate (CID 11053622) is benzyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for benzyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for benzyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCc1ccccc1)C(C)C.
What is the InChIKey of benzyl N,N-di(propan-2-yl)carbamate?
The InChIKey is KENFRORLALVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of benzyl N,N-di(propan-2-yl)carbamate?
benzyl N,N-di(propan-2-yl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11053622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).