(E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one

C17H17NO3 — CID 2291569

IUPAC(E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(OC)c(N/C=C/C(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-20-14-8-9-17(21-2)15(12-14)18-11-10-16(19)13-6-4-3-5-7-13/h3-12,18H,1-2H3/b11-10+
InChIKeyHHDHYFWVOOMKRY-ZHACJKMWSA-N
MW283.33 g/mol
LogP3.51
Rot. Bonds6

About (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one

(E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one (PubChem CID 2291569) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one
PubChem CID2291569
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(OC)c(N/C=C/C(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-20-14-8-9-17(21-2)15(12-14)18-11-10-16(19)13-6-4-3-5-7-13/h3-12,18H,1-2H3/b11-10+
InChIKeyHHDHYFWVOOMKRY-ZHACJKMWSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.51
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

Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
4-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 307426
Fast Blue RR
CID 93116
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
CID 23653531
2-Propen-1-one, 3-((4-methoxyphenyl)amino)-1-phenyl-, (E)-
CID 2189851
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276
N-(2,5-dimethoxyphenyl)-4-methylbenzamide
CID 531831
2-Bromo-N-(2,5-dimethoxyphenyl)benzamide
CID 532190
2',5'-Diethoxybenzanilide
CID 66700

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one (CID 2291569) is (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one is COc1ccc(OC)c(N/C=C/C(=O)c2ccccc2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one?
The InChIKey is HHDHYFWVOOMKRY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-8-9-17(21-2)15(12-14)18-11-10-16(19)13-6-4-3-5-7-13/h3-12,18H,1-2H3/b11-10+.
What are the key properties of (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one?
(E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one has a molecular weight of 283.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyanilino)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2291569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).