4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide

C23H27NO3 — CID 67794540

IUPAC4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
SMILESCCOc1ccc(C(C)C)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C23H27NO3/c1-6-27-22-14-12-19(16(2)3)15-20(22)11-13-21(25)17-7-9-18(10-8-17)23(26)24(4)5/h7-16H,6H2,1-5H3
InChIKeyINBKQXWEANCCDJ-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.81
Rot. Bonds7

About 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide

4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide (PubChem CID 67794540) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
PubChem CID67794540
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
SMILESCCOc1ccc(C(C)C)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C23H27NO3/c1-6-27-22-14-12-19(16(2)3)15-20(22)11-13-21(25)17-7-9-18(10-8-17)23(26)24(4)5/h7-16H,6H2,1-5H3
InChIKeyINBKQXWEANCCDJ-UHFFFAOYSA-N
XLogP4.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-ethoxy-5-methylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
CID 70017513
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408
4-[(E)-3-(3-tert-butyl-2,6-diethoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178113
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
(E)-3-(2-ethoxy-4-hydroxy-5-propan-2-ylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one
CID 18178751
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
4-[(E)-3-[5-tert-butyl-2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178099
(E)-4-(2-ethoxy-5-propan-2-ylphenyl)-4-oxobut-2-enoic acid
CID 82053981
N,N-dimethyl-4-[3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoyl]benzamide
CID 67793429
4-[(E)-3-[2,6-di(propan-2-yloxy)phenyl]prop-2-enoyl]-N,N-dimethylbenzamide
CID 18178089
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide (CID 67794540) is 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide is CCOc1ccc(C(C)C)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide?
The InChIKey is INBKQXWEANCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-6-27-22-14-12-19(16(2)3)15-20(22)11-13-21(25)17-7-9-18(10-8-17)23(26)24(4)5/h7-16H,6H2,1-5H3.
What are the key properties of 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide?
4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide has a molecular weight of 365.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxy-5-propan-2-ylphenyl)prop-2-enoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 67794540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).