ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate

C13H17NO4 — CID 134116743

IUPACethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
SMILESCCOC(=O)NOC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-3-17-13(15)14-18-10-4-5-11-6-8-12(16-2)9-7-11/h4-9H,3,10H2,1-2H3,(H,14,15)/b5-4+
InChIKeyYTEISJJNTXJRHB-SNAWJCMRSA-N
MW251.28 g/mol
LogP2.39
Rot. Bonds6

About ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate

ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate (PubChem CID 134116743) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
PubChem CID134116743
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
SMILESCCOC(=O)NOC/C=C/c1ccc(OC)cc1
InChIInChI=1S/C13H17NO4/c1-3-17-13(15)14-18-10-4-5-11-6-8-12(16-2)9-7-11/h4-9H,3,10H2,1-2H3,(H,14,15)/b5-4+
InChIKeyYTEISJJNTXJRHB-SNAWJCMRSA-N
XLogP2.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate 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-[3-(4-methoxyphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 57005653
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate
CID 164678564
(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
CID 11424540
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
diethyl 2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-prop-2-enylpropanedioate
CID 135079406
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate?
The IUPAC name of ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate (CID 134116743) is ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate.
What is the SMILES notation for ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate?
The canonical SMILES for ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate is CCOC(=O)NOC/C=C/c1ccc(OC)cc1.
What is the InChIKey of ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate?
The InChIKey is YTEISJJNTXJRHB-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-13(15)14-18-10-4-5-11-6-8-12(16-2)9-7-11/h4-9H,3,10H2,1-2H3,(H,14,15)/b5-4+.
What are the key properties of ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate?
ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate has a molecular weight of 251.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate is sourced from PubChem (CID 134116743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).