(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate

C12H17NO2 — CID 12953311

IUPAC(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C)cc1C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)10-7-9(3)5-6-11(10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKeyYGVLVGDTPVTYFX-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.84
Rot. Bonds2

About (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate

(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 12953311) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
PubChem CID12953311
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C)cc1C(C)C
InChIInChI=1S/C12H17NO2/c1-8(2)10-7-9(3)5-6-11(10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKeyYGVLVGDTPVTYFX-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethylphenyl) N-(1-aminopropan-2-yl)carbamate
CID 83822856
(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
CID 134151064
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
(2,4-dimethylphenyl) N-(2-aminopropyl)carbamate
CID 83822855
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(4-bromo-2-propan-2-ylphenyl) 2-(2,5-dimethylphenoxy)acetate
CID 17188151
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
bis[4-methyl-2-(1-propoxyethyl)phenyl] carbonate
CID 90300736
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate (CID 12953311) is (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(C)cc1C(C)C.
What is the InChIKey of (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is YGVLVGDTPVTYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)10-7-9(3)5-6-11(10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate?
(4-methyl-2-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 12953311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).