(E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide

C21H24N2O2 — CID 110423747

IUPAC(E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C(/c2ccc(C)cc2)C(C)C)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)20(17-10-8-15(3)9-11-17)13-21(25)23-19-7-5-6-18(12-19)22-16(4)24/h5-14H,1-4H3,(H,22,24)(H,23,25)/b20-13+
InChIKeySEORHDSZKODSMZ-DEDYPNTBSA-N
MW336.44 g/mol
LogP4.63
Rot. Bonds5

About (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide

(E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide (PubChem CID 110423747) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide
PubChem CID110423747
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C(/c2ccc(C)cc2)C(C)C)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)20(17-10-8-15(3)9-11-17)13-21(25)23-19-7-5-6-18(12-19)22-16(4)24/h5-14H,1-4H3,(H,22,24)(H,23,25)/b20-13+
InChIKeySEORHDSZKODSMZ-DEDYPNTBSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
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acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
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CID 766081
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The IUPAC name of (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide (CID 110423747) is (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide is CC(=O)Nc1cccc(NC(=O)/C=C(/c2ccc(C)cc2)C(C)C)c1.
What is the InChIKey of (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide?
The InChIKey is SEORHDSZKODSMZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)20(17-10-8-15(3)9-11-17)13-21(25)23-19-7-5-6-18(12-19)22-16(4)24/h5-14H,1-4H3,(H,22,24)(H,23,25)/b20-13+.
What are the key properties of (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide?
(E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidophenyl)-4-methyl-3-(4-methylphenyl)pent-2-enamide is sourced from PubChem (CID 110423747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).