prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate

C17H18N2O2 — CID 108745022

IUPACprop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccccc1Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-12-21-17(20)19-16-7-5-4-6-15(16)18-14-10-8-13(2)9-11-14/h3-11,18H,1,12H2,2H3,(H,19,20)
InChIKeyQBLSRWUGVOLTQT-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.47
Rot. Bonds5

About prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate

prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate (PubChem CID 108745022) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
PubChem CID108745022
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameprop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccccc1Nc1ccc(C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-12-21-17(20)19-16-7-5-4-6-15(16)18-14-10-8-13(2)9-11-14/h3-11,18H,1,12H2,2H3,(H,19,20)
InChIKeyQBLSRWUGVOLTQT-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745026
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
CID 6426310
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
prop-2-enyl N-(2-nitrophenyl)carbamate
CID 127503250
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
CID 108745056
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820
2-(4-fluorophenyl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767260
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate (CID 108745022) is prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate is C=CCOC(=O)Nc1ccccc1Nc1ccc(C)cc1.
What is the InChIKey of prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate?
The InChIKey is QBLSRWUGVOLTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-12-21-17(20)19-16-7-5-4-6-15(16)18-14-10-8-13(2)9-11-14/h3-11,18H,1,12H2,2H3,(H,19,20).
What are the key properties of prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate?
prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate is sourced from PubChem (CID 108745022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).