tert-butyl N-(2-acetyl-4-methylphenyl)carbamate

C14H19NO3 — CID 143444258

IUPACtert-butyl N-(2-acetyl-4-methylphenyl)carbamate
SMILESCC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-9-6-7-12(11(8-9)10(2)16)15-13(17)18-14(3,4)5/h6-8H,1-5H3,(H,15,17)
InChIKeyDDAUEJJLOHJQES-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl N-(2-acetyl-4-methylphenyl)carbamate

tert-butyl N-(2-acetyl-4-methylphenyl)carbamate (PubChem CID 143444258) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl N-(2-acetyl-4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-acetyl-4-methylphenyl)carbamate
PubChem CID143444258
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl N-(2-acetyl-4-methylphenyl)carbamate
SMILESCC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-9-6-7-12(11(8-9)10(2)16)15-13(17)18-14(3,4)5/h6-8H,1-5H3,(H,15,17)
InChIKeyDDAUEJJLOHJQES-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2-acetyl-4-methylphenyl)carbamate 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

tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
CID 90291485
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoate
CID 19261414
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonic acid
CID 118978078
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 165144923
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
CID 170985606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-acetyl-4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-acetyl-4-methylphenyl)carbamate (CID 143444258) is tert-butyl N-(2-acetyl-4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-acetyl-4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-acetyl-4-methylphenyl)carbamate is CC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-acetyl-4-methylphenyl)carbamate?
The InChIKey is DDAUEJJLOHJQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-6-7-12(11(8-9)10(2)16)15-13(17)18-14(3,4)5/h6-8H,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-(2-acetyl-4-methylphenyl)carbamate?
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-acetyl-4-methylphenyl)carbamate is sourced from PubChem (CID 143444258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).