1-(4-methylphenyl)prop-2-enyl N-propylcarbamate

C14H19NO2 — CID 102142653

IUPAC1-(4-methylphenyl)prop-2-enyl N-propylcarbamate
SMILESC=CC(OC(=O)NCCC)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-14(16)17-13(5-2)12-8-6-11(3)7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)
InChIKeySRIIREBEUZQNSC-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate

1-(4-methylphenyl)prop-2-enyl N-propylcarbamate (PubChem CID 102142653) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate.

Molecular Properties

Compound Name1-(4-methylphenyl)prop-2-enyl N-propylcarbamate
PubChem CID102142653
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-methylphenyl)prop-2-enyl N-propylcarbamate
SMILESC=CC(OC(=O)NCCC)c1ccc(C)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-14(16)17-13(5-2)12-8-6-11(3)7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)
InChIKeySRIIREBEUZQNSC-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate?
The IUPAC name of 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate (CID 102142653) is 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate.
What is the SMILES notation for 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate?
The canonical SMILES for 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate is C=CC(OC(=O)NCCC)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate?
The InChIKey is SRIIREBEUZQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-15-14(16)17-13(5-2)12-8-6-11(3)7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16).
What are the key properties of 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate?
1-(4-methylphenyl)prop-2-enyl N-propylcarbamate has a molecular weight of 233.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)prop-2-enyl N-propylcarbamate is sourced from PubChem (CID 102142653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).