[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate

C20H23NO5 — CID 70610761

IUPAC[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate
SMILESCC=CN(C(=O)Oc1ccc(OCC(OC)OC)cc1)c1ccccc1
InChIInChI=1S/C20H23NO5/c1-4-14-21(16-8-6-5-7-9-16)20(22)26-18-12-10-17(11-13-18)25-15-19(23-2)24-3/h4-14,19H,15H2,1-3H3
InChIKeyHQIRWJSXLJORTA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.22
Rot. Bonds8

About [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate

[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate (PubChem CID 70610761) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate.

Molecular Properties

Compound Name[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate
PubChem CID70610761
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate
SMILESCC=CN(C(=O)Oc1ccc(OCC(OC)OC)cc1)c1ccccc1
InChIInChI=1S/C20H23NO5/c1-4-14-21(16-8-6-5-7-9-16)20(22)26-18-12-10-17(11-13-18)25-15-19(23-2)24-3/h4-14,19H,15H2,1-3H3
InChIKeyHQIRWJSXLJORTA-UHFFFAOYSA-N
XLogP4.22
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-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

1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
CID 19424117
phenyl N-ethenyl-N-phenylcarbamate
CID 154121806
N-phenyl-N-prop-1-enylprop-2-enamide
CID 175394581
phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]-N-phenoxycarbonylcarbamate
CID 141492894
[4-[(E)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate;[4-[(E)-1-[4-(2-oxoethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 157454824
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
2-(phenoxymethyl)pent-3-enoxybenzene
CID 141070463
2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol
CID 69168508
dimethyl 4-(2,2-dimethoxyethoxy)benzene-1,2-dicarboxylate
CID 155584738
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
methyl 2-(N-phenoxycarbonylanilino)sulfanylbenzoate
CID 54034535
phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
CID 75384450

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate?
The IUPAC name of [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate (CID 70610761) is [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate.
What is the SMILES notation for [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate?
The canonical SMILES for [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate is CC=CN(C(=O)Oc1ccc(OCC(OC)OC)cc1)c1ccccc1.
What is the InChIKey of [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate?
The InChIKey is HQIRWJSXLJORTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-14-21(16-8-6-5-7-9-16)20(22)26-18-12-10-17(11-13-18)25-15-19(23-2)24-3/h4-14,19H,15H2,1-3H3.
What are the key properties of [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate?
[4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate has a molecular weight of 357.41 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethoxyethoxy)phenyl] N-phenyl-N-prop-1-enylcarbamate is sourced from PubChem (CID 70610761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).