(3,5-dimethylphenyl) N-prop-1-enylcarbamate

C12H15NO2 — CID 71409237

IUPAC(3,5-dimethylphenyl) N-prop-1-enylcarbamate
SMILESCC=CNC(=O)Oc1cc(C)cc(C)c1
InChIInChI=1S/C12H15NO2/c1-4-5-13-12(14)15-11-7-9(2)6-10(3)8-11/h4-8H,1-3H3,(H,13,14)
InChIKeyCHENTNMWRMEGMV-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.93
Rot. Bonds2

About (3,5-dimethylphenyl) N-prop-1-enylcarbamate

(3,5-dimethylphenyl) N-prop-1-enylcarbamate (PubChem CID 71409237) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3,5-dimethylphenyl) N-prop-1-enylcarbamate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) N-prop-1-enylcarbamate
PubChem CID71409237
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3,5-dimethylphenyl) N-prop-1-enylcarbamate
SMILESCC=CNC(=O)Oc1cc(C)cc(C)c1
InChIInChI=1S/C12H15NO2/c1-4-5-13-12(14)15-11-7-9(2)6-10(3)8-11/h4-8H,1-3H3,(H,13,14)
InChIKeyCHENTNMWRMEGMV-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethylphenyl) N-prop-1-enylcarbamate 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

(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(3,5-dimethylphenyl) N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672361
(3,5-dimethylphenyl) carbonochloridate
CID 22026189
phenyl N-[(1E,3E)-penta-1,3-dienyl]carbamate
CID 5384224
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
(3-tert-butyl-5-methylphenyl) N-methylcarbamate
CID 23274278
(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
CID 129081148
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
bis(3,5-dimethylphenyl) hexanedioate
CID 91711674
[(2R)-2-[(3,5-dimethylphenoxy)carbonylamino]propyl] prop-2-enoate
CID 175015821
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) N-prop-1-enylcarbamate?
The IUPAC name of (3,5-dimethylphenyl) N-prop-1-enylcarbamate (CID 71409237) is (3,5-dimethylphenyl) N-prop-1-enylcarbamate.
What is the SMILES notation for (3,5-dimethylphenyl) N-prop-1-enylcarbamate?
The canonical SMILES for (3,5-dimethylphenyl) N-prop-1-enylcarbamate is CC=CNC(=O)Oc1cc(C)cc(C)c1.
What is the InChIKey of (3,5-dimethylphenyl) N-prop-1-enylcarbamate?
The InChIKey is CHENTNMWRMEGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-5-13-12(14)15-11-7-9(2)6-10(3)8-11/h4-8H,1-3H3,(H,13,14).
What are the key properties of (3,5-dimethylphenyl) N-prop-1-enylcarbamate?
(3,5-dimethylphenyl) N-prop-1-enylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) N-prop-1-enylcarbamate is sourced from PubChem (CID 71409237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).