(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H22INO — CID 22777167

IUPAC(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)cc1I
InChIInChI=1S/C20H22INO/c1-13(2)17-8-5-16(6-9-17)7-10-20(23)22-19-12-14(3)18(21)11-15(19)4/h5-13H,1-4H3,(H,22,23)/b10-7+
InChIKeyHHVNWCZLWVVEEB-JXMROGBWSA-N
MW419.31 g/mol
LogP5.68
Rot. Bonds4

About (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 22777167) has the molecular formula C20H22INO and a molecular weight of 419.31 g/mol. Its IUPAC name is (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID22777167
Molecular FormulaC20H22INO
Molecular Weight419.31 g/mol
Exact Mass419.07
IUPAC Name(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)cc1I
InChIInChI=1S/C20H22INO/c1-13(2)17-8-5-16(6-9-17)7-10-20(23)22-19-12-14(3)18(21)11-15(19)4/h5-13H,1-4H3,(H,22,23)/b10-7+
InChIKeyHHVNWCZLWVVEEB-JXMROGBWSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19631485
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28677797
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92955062
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108767317
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1069724
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 22777167) is (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)cc1I.
What is the InChIKey of (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is HHVNWCZLWVVEEB-JXMROGBWSA-N. The full InChI is InChI=1S/C20H22INO/c1-13(2)17-8-5-16(6-9-17)7-10-20(23)22-19-12-14(3)18(21)11-15(19)4/h5-13H,1-4H3,(H,22,23)/b10-7+.
What are the key properties of (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 419.31 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 22777167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).