(2-benzyl-3-methylbutyl) carbamate

C13H19NO2 — CID 67758924

IUPAC(2-benzyl-3-methylbutyl) carbamate
SMILESCC(C)C(COC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)12(9-16-13(14)15)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15)
InChIKeyAJUUZSZFQSXZIF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.60
Rot. Bonds5

About (2-benzyl-3-methylbutyl) carbamate

(2-benzyl-3-methylbutyl) carbamate (PubChem CID 67758924) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-benzyl-3-methylbutyl) carbamate.

Molecular Properties

Compound Name(2-benzyl-3-methylbutyl) carbamate
PubChem CID67758924
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-benzyl-3-methylbutyl) carbamate
SMILESCC(C)C(COC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)12(9-16-13(14)15)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15)
InChIKeyAJUUZSZFQSXZIF-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
(2-benzyl-3-methylbutyl)benzene
CID 22277918
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
2-benzyl-3-methylbutan-1-amine
CID 59900587
[2-(carbamoylamino)-3-phenylpropyl] carbamate
CID 155892632
[(2R)-2-phenylpropyl] carbamate
CID 175384997
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-methylbutyl) carbamate?
The IUPAC name of (2-benzyl-3-methylbutyl) carbamate (CID 67758924) is (2-benzyl-3-methylbutyl) carbamate.
What is the SMILES notation for (2-benzyl-3-methylbutyl) carbamate?
The canonical SMILES for (2-benzyl-3-methylbutyl) carbamate is CC(C)C(COC(N)=O)Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-methylbutyl) carbamate?
The InChIKey is AJUUZSZFQSXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)12(9-16-13(14)15)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of (2-benzyl-3-methylbutyl) carbamate?
(2-benzyl-3-methylbutyl) carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-methylbutyl) carbamate is sourced from PubChem (CID 67758924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).