(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide

C18H20N2O — CID 60587211

IUPAC(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-3-7-14(2)18(21)20-17-12-10-16(11-13-17)19-15-8-5-4-6-9-15/h4-13,19H,3H2,1-2H3,(H,20,21)/b14-7-
InChIKeySGQORHGNRIQEPV-AUWJEWJLSA-N
MW280.37 g/mol
LogP4.72
Rot. Bonds5

About (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide

(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide (PubChem CID 60587211) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
PubChem CID60587211
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-3-7-14(2)18(21)20-17-12-10-16(11-13-17)19-15-8-5-4-6-9-15/h4-13,19H,3H2,1-2H3,(H,20,21)/b14-7-
InChIKeySGQORHGNRIQEPV-AUWJEWJLSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.72
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

2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
CID 54298724
1-[4-[[(Z)-2-methylpent-2-enoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912949
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
CID 142913201
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
propyl 4-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43431226
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
2-methyl-N-(3-nitrophenyl)pent-2-enamide
CID 75895988
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
CID 14383795
2-benzyl-3-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 132967793
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide (CID 60587211) is (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide?
The InChIKey is SGQORHGNRIQEPV-AUWJEWJLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-7-14(2)18(21)20-17-12-10-16(11-13-17)19-15-8-5-4-6-9-15/h4-13,19H,3H2,1-2H3,(H,20,21)/b14-7-.
What are the key properties of (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide?
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide is sourced from PubChem (CID 60587211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).