N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate

C12H16NO2- — CID 57351838

IUPACN-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate
SMILESCc1cccc(N(C(=O)[O-])C(C)C)c1C
InChIInChI=1S/C12H17NO2/c1-8(2)13(12(14)15)11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H,14,15)/p-1
InChIKeyVWYXEWRSUBXWKR-UHFFFAOYSA-M
MW206.27 g/mol
LogP1.86
Rot. Bonds2

About N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate

N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate (PubChem CID 57351838) has the molecular formula C12H16NO2- and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate
PubChem CID57351838
Molecular FormulaC12H16NO2-
Molecular Weight206.27 g/mol
Exact Mass206.12
IUPAC NameN-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate
SMILESCc1cccc(N(C(=O)[O-])C(C)C)c1C
InChIInChI=1S/C12H17NO2/c1-8(2)13(12(14)15)11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H,14,15)/p-1
InChIKeyVWYXEWRSUBXWKR-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-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate
CID 57373992
N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57352336
N-(4-fluoro-2-methylphenyl)-N-propan-2-ylcarbamate
CID 57370760
1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
CID 67257224
[3-(N-carboxy-2,3-dimethylanilino)-2-methylphenyl]-(2,3-dimethylphenyl)carbamic acid
CID 174980910
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 10682477
1,3-diamino-1-(2,3-dimethylphenyl)-3-methylurea;ethane
CID 144597779
3-[(2,3-dimethylphenyl)-methylsulfamoyl]benzoic acid
CID 94622722

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate?
The IUPAC name of N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate (CID 57351838) is N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate is Cc1cccc(N(C(=O)[O-])C(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate?
The InChIKey is VWYXEWRSUBXWKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13(12(14)15)11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H,14,15)/p-1.
What are the key properties of N-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate?
N-(2,3-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-(2,3-dimethylphenyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 57351838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).