N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate

C12H16NO2- — CID 57352336

IUPACN-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
SMILESCc1cccc(C)c1N(C(=O)[O-])C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)13(12(14)15)11-9(3)6-5-7-10(11)4/h5-8H,1-4H3,(H,14,15)/p-1
InChIKeyOAWWJVGZCUDOOA-UHFFFAOYSA-M
MW206.27 g/mol
LogP1.86
Rot. Bonds2

About N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate

N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate (PubChem CID 57352336) has the molecular formula C12H16NO2- and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
PubChem CID57352336
Molecular FormulaC12H16NO2-
Molecular Weight206.27 g/mol
Exact Mass206.12
IUPAC NameN-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
SMILESCc1cccc(C)c1N(C(=O)[O-])C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)13(12(14)15)11-9(3)6-5-7-10(11)4/h5-8H,1-4H3,(H,14,15)/p-1
InChIKeyOAWWJVGZCUDOOA-UHFFFAOYSA-M
XLogP1.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57351838
N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate
CID 57373992
N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate
CID 57370760
2-amino-N-(2,6-dimethylphenyl)-N-methylpropanamide
CID 10081730
2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 19855646
3-(2,6-dimethylphenyl)-1-phenyl-1-propan-2-ylurea
CID 142476554
N,N-dihydroxy-2,6-dimethylaniline
CID 89145253
sodium (2,6-dimethylphenyl)-[phenyl(propan-2-yl)carbamoyl]azanide
CID 159131292
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
2-(2,6-dimethyl-N-pentylanilino)propanoic acid
CID 70524742
N-(2-diphenylphosphanyl-6-methylphenyl)-3-methyl-N-[(1S)-1-phenylethyl]but-2-enamide
CID 177475103

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate?
The IUPAC name of N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate (CID 57352336) is N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate is Cc1cccc(C)c1N(C(=O)[O-])C(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate?
The InChIKey is OAWWJVGZCUDOOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13(12(14)15)11-9(3)6-5-7-10(11)4/h5-8H,1-4H3,(H,14,15)/p-1.
What are the key properties of N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate?
N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate has a molecular weight of 206.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 57352336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).