[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate

C19H19NO4 — CID 4901706

IUPAC[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate
SMILESCOc1cccc(C=CC(=O)c2ccccc2)c1OC(=O)N(C)C
InChIInChI=1S/C19H19NO4/c1-20(2)19(22)24-18-15(10-7-11-17(18)23-3)12-13-16(21)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyLBDHBZOFLAQXOY-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.65
Rot. Bonds5

About [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate

[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate (PubChem CID 4901706) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate
PubChem CID4901706
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate
SMILESCOc1cccc(C=CC(=O)c2ccccc2)c1OC(=O)N(C)C
InChIInChI=1S/C19H19NO4/c1-20(2)19(22)24-18-15(10-7-11-17(18)23-3)12-13-16(21)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyLBDHBZOFLAQXOY-UHFFFAOYSA-N
XLogP3.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 3,4,5-trimethoxybenzoate
CID 5089760
3-(2,3-dimethoxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 70557139
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
1-[3-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11188838
2-[4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8827264
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide
CID 24764082

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate (CID 4901706) is [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate is COc1cccc(C=CC(=O)c2ccccc2)c1OC(=O)N(C)C.
What is the InChIKey of [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is LBDHBZOFLAQXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-20(2)19(22)24-18-15(10-7-11-17(18)23-3)12-13-16(21)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate?
[2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 325.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(3-oxo-3-phenylprop-1-enyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 4901706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).