(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

C21H24ClNO3 — CID 8920524

IUPAC(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cccc(OC)c1OC
InChIInChI=1S/C21H24ClNO3/c1-5-14-10-12-17(22)16(6-2)20(14)23-19(24)13-11-15-8-7-9-18(25-3)21(15)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)/b13-11+
InChIKeyMBLXHSFDAODYQP-ACCUITESSA-N
MW373.88 g/mol
LogP5.13
Rot. Bonds7

About (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (PubChem CID 8920524) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
PubChem CID8920524
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cccc(OC)c1OC
InChIInChI=1S/C21H24ClNO3/c1-5-14-10-12-17(22)16(6-2)20(14)23-19(24)13-11-15-8-7-9-18(25-3)21(15)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)/b13-11+
InChIKeyMBLXHSFDAODYQP-ACCUITESSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26198613
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 7920597
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
(E)-3-(2,3-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 8017432
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-3-(2,3-dimethoxyphenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 7551635
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058123

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (CID 8920524) is (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1cccc(OC)c1OC.
What is the InChIKey of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The InChIKey is MBLXHSFDAODYQP-ACCUITESSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-5-14-10-12-17(22)16(6-2)20(14)23-19(24)13-11-15-8-7-9-18(25-3)21(15)26-4/h7-13H,5-6H2,1-4H3,(H,23,24)/b13-11+.
What are the key properties of (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide has a molecular weight of 373.88 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8920524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).