(Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one

C18H19NO — CID 5285370

IUPAC(Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-12,19H,1-3H3/b11-10-
InChIKeyCIAMLHZCZHEMRV-KHPPLWFESA-N
MW265.36 g/mol
LogP4.42
Rot. Bonds4

About (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one

(Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 5285370) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID5285370
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C\Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-12,19H,1-3H3/b11-10-
InChIKeyCIAMLHZCZHEMRV-KHPPLWFESA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.42
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one (CID 5285370) is (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C\Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is CIAMLHZCZHEMRV-KHPPLWFESA-N. The full InChI is InChI=1S/C18H19NO/c1-13-4-7-16(8-5-13)18(20)10-11-19-17-9-6-14(2)15(3)12-17/h4-12,19H,1-3H3/b11-10-.
What are the key properties of (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one?
(Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dimethylanilino)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 5285370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).