(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate

C15H21NO2 — CID 71409261

IUPAC(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate
SMILESCC=CNC(=O)Oc1ccccc1C(C)CCC
InChIInChI=1S/C15H21NO2/c1-4-8-12(3)13-9-6-7-10-14(13)18-15(17)16-11-5-2/h5-7,9-12H,4,8H2,1-3H3,(H,16,17)
InChIKeyVPBHKLUHIRXJSL-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.21
Rot. Bonds5

About (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate

(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate (PubChem CID 71409261) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate.

Molecular Properties

Compound Name(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate
PubChem CID71409261
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate
SMILESCC=CNC(=O)Oc1ccccc1C(C)CCC
InChIInChI=1S/C15H21NO2/c1-4-8-12(3)13-9-6-7-10-14(13)18-15(17)16-11-5-2/h5-7,9-12H,4,8H2,1-3H3,(H,16,17)
InChIKeyVPBHKLUHIRXJSL-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-pentan-2-ylphenyl) 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

(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate
CID 71409311
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
O-(2-pentan-2-ylphenyl)hydroxylamine
CID 173492752
dimethyl-bis(2-pentan-2-ylphenoxy)stannane
CID 67503480
1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
[2-(1-chloroicosyl)phenyl] N-methylcarbamate
CID 54095780
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
[2,3-di(pentan-2-yl)phenyl] dihydrogen phosphate
CID 22497485
[2-[1-(2-methylphenyl)butyl]phenyl] hydrogen carbonate
CID 19379220
(2-butan-2-ylphenyl) 2,3-dihydroxypropanoate
CID 129186368
1-O-ethyl 3-O-(2-propan-2-ylphenyl) 2-ethylpropanedioate
CID 66887203
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562

Frequently Asked Questions

What is the IUPAC name of (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate?
The IUPAC name of (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate (CID 71409261) is (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate.
What is the SMILES notation for (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate?
The canonical SMILES for (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate is CC=CNC(=O)Oc1ccccc1C(C)CCC.
What is the InChIKey of (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate?
The InChIKey is VPBHKLUHIRXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-8-12(3)13-9-6-7-10-14(13)18-15(17)16-11-5-2/h5-7,9-12H,4,8H2,1-3H3,(H,16,17).
What are the key properties of (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate?
(2-pentan-2-ylphenyl) N-prop-1-enylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentan-2-ylphenyl) N-prop-1-enylcarbamate is sourced from PubChem (CID 71409261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).