prop-2-enyl N-(2,4-dimethylphenyl)carbamate

C12H15NO2 — CID 3307281

IUPACprop-2-enyl N-(2,4-dimethylphenyl)carbamate
SMILESC=CCOC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C12H15NO2/c1-4-7-15-12(14)13-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3,(H,13,14)
InChIKeyOLKXBTZMPYGUJU-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.04
Rot. Bonds3

About prop-2-enyl N-(2,4-dimethylphenyl)carbamate

prop-2-enyl N-(2,4-dimethylphenyl)carbamate (PubChem CID 3307281) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is prop-2-enyl N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2,4-dimethylphenyl)carbamate
PubChem CID3307281
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameprop-2-enyl N-(2,4-dimethylphenyl)carbamate
SMILESC=CCOC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C12H15NO2/c1-4-7-15-12(14)13-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3,(H,13,14)
InChIKeyOLKXBTZMPYGUJU-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(2,4-dimethylphenyl)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

prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
CID 6426310
prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745022
2,5-dimethyl-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167742474
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
CID 91737375
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358
6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid
CID 68819422
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
CID 9442218
ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxylate
CID 43954367
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
4-ethenoxybutyl N-[4-(4-ethenoxybutoxycarbonylamino)-2-methylphenyl]carbamate
CID 59319780

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of prop-2-enyl N-(2,4-dimethylphenyl)carbamate (CID 3307281) is prop-2-enyl N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2,4-dimethylphenyl)carbamate is C=CCOC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of prop-2-enyl N-(2,4-dimethylphenyl)carbamate?
The InChIKey is OLKXBTZMPYGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-7-15-12(14)13-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3,(H,13,14).
What are the key properties of prop-2-enyl N-(2,4-dimethylphenyl)carbamate?
prop-2-enyl N-(2,4-dimethylphenyl)carbamate has a molecular weight of 205.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 3307281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).