ethyl N-(2-formyl-4-methylphenyl)carbamate

C11H13NO3 — CID 135178172

IUPACethyl N-(2-formyl-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1C=O
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)12-10-5-4-8(2)6-9(10)7-13/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyXCFCWFTUUPRMGJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.38
Rot. Bonds3

About ethyl N-(2-formyl-4-methylphenyl)carbamate

ethyl N-(2-formyl-4-methylphenyl)carbamate (PubChem CID 135178172) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl N-(2-formyl-4-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-formyl-4-methylphenyl)carbamate
PubChem CID135178172
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl N-(2-formyl-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1C=O
InChIInChI=1S/C11H13NO3/c1-3-15-11(14)12-10-5-4-8(2)6-9(10)7-13/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeyXCFCWFTUUPRMGJ-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl N-(2-formyl-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-formyl-4-methylphenyl)carbamate
CID 84797412
ethyl N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]carbamate
CID 60813703
ethyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 19765047
ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 58475259
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
ethyl N-(3-butan-2-yl-4-formylphenyl)carbamate
CID 142053484
ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate
CID 88660508
ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171
ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
CID 70037110
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-formyl-4-methylphenyl)carbamate?
The IUPAC name of ethyl N-(2-formyl-4-methylphenyl)carbamate (CID 135178172) is ethyl N-(2-formyl-4-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(2-formyl-4-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(2-formyl-4-methylphenyl)carbamate is CCOC(=O)Nc1ccc(C)cc1C=O.
What is the InChIKey of ethyl N-(2-formyl-4-methylphenyl)carbamate?
The InChIKey is XCFCWFTUUPRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-15-11(14)12-10-5-4-8(2)6-9(10)7-13/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-(2-formyl-4-methylphenyl)carbamate?
ethyl N-(2-formyl-4-methylphenyl)carbamate has a molecular weight of 207.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-formyl-4-methylphenyl)carbamate is sourced from PubChem (CID 135178172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).