[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate

C20H21NO4 — CID 134155691

IUPAC[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C20H21NO4/c1-3-21(4-2)20(24)25-18-7-5-6-16(14-18)19(23)13-10-15-8-11-17(22)12-9-15/h5-14,22H,3-4H2,1-2H3/b13-10+
InChIKeyJIMBSVNEIMYLAL-JLHYYAGUSA-N
MW339.39 g/mol
LogP4.13
Rot. Bonds6

About [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate

[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate (PubChem CID 134155691) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate
PubChem CID134155691
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C20H21NO4/c1-3-21(4-2)20(24)25-18-7-5-6-16(14-18)19(23)13-10-15-8-11-17(22)12-9-15/h5-14,22H,3-4H2,1-2H3/b13-10+
InChIKeyJIMBSVNEIMYLAL-JLHYYAGUSA-N
XLogP4.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate 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

[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N-ethyl-N-methylcarbamate
CID 134134429
[4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] N,N-dimethylcarbamate
CID 134150003
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 19560724
[3-[(E)-3-(4-hexadecoxyphenyl)prop-2-enoyl]phenyl] (E)-3-(4-hexadecoxyphenyl)prop-2-enoate
CID 132573563
[3-[(E)-3-(4-octadecoxyphenyl)prop-2-enoyl]phenyl] (E)-3-(4-octadecoxyphenyl)prop-2-enoate
CID 132575794
(E)-3-(4-ethoxyphenyl)-1-[3-[4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 167993814
2-[3-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727469
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849823

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate (CID 134155691) is [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1.
What is the InChIKey of [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate?
The InChIKey is JIMBSVNEIMYLAL-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-21(4-2)20(24)25-18-7-5-6-16(14-18)19(23)13-10-15-8-11-17(22)12-9-15/h5-14,22H,3-4H2,1-2H3/b13-10+.
What are the key properties of [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate?
[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate has a molecular weight of 339.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 134155691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).