(2-methyl-4-propoxyphenyl)carbamic acid

C11H15NO3 — CID 118108315

IUPAC(2-methyl-4-propoxyphenyl)carbamic acid
SMILESCCCOc1ccc(NC(=O)O)c(C)c1
InChIInChI=1S/C11H15NO3/c1-3-6-15-9-4-5-10(8(2)7-9)12-11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyGTUFWJIXMJBXGK-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.87
Rot. Bonds4

About (2-methyl-4-propoxyphenyl)carbamic acid

(2-methyl-4-propoxyphenyl)carbamic acid (PubChem CID 118108315) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2-methyl-4-propoxyphenyl)carbamic acid.

Molecular Properties

Compound Name(2-methyl-4-propoxyphenyl)carbamic acid
PubChem CID118108315
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2-methyl-4-propoxyphenyl)carbamic acid
SMILESCCCOc1ccc(NC(=O)O)c(C)c1
InChIInChI=1S/C11H15NO3/c1-3-6-15-9-4-5-10(8(2)7-9)12-11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyGTUFWJIXMJBXGK-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-methyl-4-propoxyphenyl)carbamic acid 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

1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685180
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
4-[3-(2-methyl-4-propoxyanilino)-3-oxopropyl]benzoic acid
CID 119181908
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propoxyphenyl)carbamic acid?
The IUPAC name of (2-methyl-4-propoxyphenyl)carbamic acid (CID 118108315) is (2-methyl-4-propoxyphenyl)carbamic acid.
What is the SMILES notation for (2-methyl-4-propoxyphenyl)carbamic acid?
The canonical SMILES for (2-methyl-4-propoxyphenyl)carbamic acid is CCCOc1ccc(NC(=O)O)c(C)c1.
What is the InChIKey of (2-methyl-4-propoxyphenyl)carbamic acid?
The InChIKey is GTUFWJIXMJBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-6-15-9-4-5-10(8(2)7-9)12-11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of (2-methyl-4-propoxyphenyl)carbamic acid?
(2-methyl-4-propoxyphenyl)carbamic acid has a molecular weight of 209.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propoxyphenyl)carbamic acid is sourced from PubChem (CID 118108315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).