(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

C19H19NO4 — CID 8749582

IUPAC(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2C(C)=O)c1
InChIInChI=1S/C19H19NO4/c1-13(21)16-6-4-5-7-17(16)20-19(22)11-8-14-12-15(23-2)9-10-18(14)24-3/h4-12H,1-3H3,(H,20,22)/b11-8+
InChIKeyYUWVRYUIECXJSO-DHZHZOJOSA-N
MW325.36 g/mol
LogP3.56
Rot. Bonds6

About (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 8749582) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID8749582
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2C(C)=O)c1
InChIInChI=1S/C19H19NO4/c1-13(21)16-6-4-5-7-17(16)20-19(22)11-8-14-12-15(23-2)9-10-18(14)24-3/h4-12H,1-3H3,(H,20,22)/b11-8+
InChIKeyYUWVRYUIECXJSO-DHZHZOJOSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.56
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)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]benzamide
CID 17428682
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 39166862
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6967475
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (CID 8749582) is (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2C(C)=O)c1.
What is the InChIKey of (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is YUWVRYUIECXJSO-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(21)16-6-4-5-7-17(16)20-19(22)11-8-14-12-15(23-2)9-10-18(14)24-3/h4-12H,1-3H3,(H,20,22)/b11-8+.
What are the key properties of (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 325.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8749582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).