prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate

C13H17NO2 — CID 127503444

IUPACprop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
SMILESC=CCOC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C13H17NO2/c1-3-10-16-13(15)14-9-8-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,14,15)
InChIKeyFPCVYFMDQJTEAA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds5

About prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate

prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate (PubChem CID 127503444) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
PubChem CID127503444
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameprop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
SMILESC=CCOC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C13H17NO2/c1-3-10-16-13(15)14-9-8-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,14,15)
InChIKeyFPCVYFMDQJTEAA-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
2-[4-[2-(prop-2-enoxycarbonylamino)ethyl]phenoxy]acetic acid
CID 22160443
prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566504
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
prop-2-enyl N-[(3-bromo-4-methylphenyl)methyl]carbamate
CID 155887479
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
2-[2-(4-methylphenyl)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58004900
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate (CID 127503444) is prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate is C=CCOC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate?
The InChIKey is FPCVYFMDQJTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10-16-13(15)14-9-8-12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,14,15).
What are the key properties of prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate?
prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 2.45, 5 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-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 127503444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).