N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide

C18H17NO2 — CID 8858788

IUPACN-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C)c2)c1
InChIInChI=1S/C18H17NO2/c1-13-5-3-6-15(11-13)9-10-18(21)16-7-4-8-17(12-16)19-14(2)20/h3-12H,1-2H3,(H,19,20)/b10-9+
InChIKeyVESBKWVXQSQQCY-MDZDMXLPSA-N
MW279.34 g/mol
LogP3.85
Rot. Bonds4

About N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 8858788) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID8858788
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C)c2)c1
InChIInChI=1S/C18H17NO2/c1-13-5-3-6-15(11-13)9-10-18(21)16-7-4-8-17(12-16)19-14(2)20/h3-12H,1-2H3,(H,19,20)/b10-9+
InChIKeyVESBKWVXQSQQCY-MDZDMXLPSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 123185506
N-[3-[(E)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 78787133
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 39735032
N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858974
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
2-methyl-N-[3-[3-[4-[3-[3-(2-methylprop-2-enoylamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 2832522
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide (CID 8858788) is N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C)c2)c1.
What is the InChIKey of N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is VESBKWVXQSQQCY-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-5-3-6-15(11-13)9-10-18(21)16-7-4-8-17(12-16)19-14(2)20/h3-12H,1-2H3,(H,19,20)/b10-9+.
What are the key properties of N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 8858788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).