(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C22H26ClNO4 — CID 26198613

IUPAC(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26ClNO4/c1-6-15-9-10-17(23)16(7-2)21(15)24-20(25)11-8-14-12-18(26-3)22(28-5)19(13-14)27-4/h8-13H,6-7H2,1-5H3,(H,24,25)/b11-8+
InChIKeyUVAWJCISJFUNMC-DHZHZOJOSA-N
MW403.91 g/mol
LogP5.14
Rot. Bonds8

About (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 26198613) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID26198613
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26ClNO4/c1-6-15-9-10-17(23)16(7-2)21(15)24-20(25)11-8-14-12-18(26-3)22(28-5)19(13-14)27-4/h8-13H,6-7H2,1-5H3,(H,24,25)/b11-8+
InChIKeyUVAWJCISJFUNMC-DHZHZOJOSA-N
XLogP5.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8920524
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 7920597
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26880303
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 26208549
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359871
3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4192142
N-[4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-2-methylpropanamide
CID 26679759

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 26198613) is (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is UVAWJCISJFUNMC-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-6-15-9-10-17(23)16(7-2)21(15)24-20(25)11-8-14-12-18(26-3)22(28-5)19(13-14)27-4/h8-13H,6-7H2,1-5H3,(H,24,25)/b11-8+.
What are the key properties of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 403.91 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26198613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).