methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate

C13H19NO2 — CID 149287034

IUPACmethyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(CC(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2,3)9-10-6-5-7-11(8-10)14-12(15)16-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyXUCCMBBZIIPFSZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.45
Rot. Bonds2

About methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate

methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate (PubChem CID 149287034) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
PubChem CID149287034
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(CC(C)(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2,3)9-10-6-5-7-11(8-10)14-12(15)16-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyXUCCMBBZIIPFSZ-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
methyl N-[3-(2-aminooxyethyl)phenyl]carbamate
CID 117300253
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143
methyl N-(3-chlorophenyl)carbamate
CID 16529
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
2-methoxy-2-methyl-3-oxo-3-[3-(2,2,2-trifluoroethyl)anilino]propanoic acid
CID 146136066
tert-butyl N-[3-(isocyanatomethyl)phenyl]carbamate
CID 117373443
5-[3-(methoxycarbonylamino)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 56816642

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate (CID 149287034) is methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate is COC(=O)Nc1cccc(CC(C)(C)C)c1.
What is the InChIKey of methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate?
The InChIKey is XUCCMBBZIIPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)9-10-6-5-7-11(8-10)14-12(15)16-4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate?
methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2,2-dimethylpropyl)phenyl]carbamate is sourced from PubChem (CID 149287034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).