(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide

C21H24N2O — CID 170063798

IUPAC(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide
SMILESC/C=C\C(=C/C)C(=O)Nc1ccc(CN(C)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O/c1-4-9-18(5-2)21(24)22-19-14-12-17(13-15-19)16-23(3)20-10-7-6-8-11-20/h4-15H,16H2,1-3H3,(H,22,24)/b9-4-,18-5+
InChIKeyKBXDTTSHOBRQNY-HHUKGDAASA-N
MW320.44 g/mol
LogP4.78
Rot. Bonds6

About (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide

(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide (PubChem CID 170063798) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide
PubChem CID170063798
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide
SMILESC/C=C\C(=C/C)C(=O)Nc1ccc(CN(C)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O/c1-4-9-18(5-2)21(24)22-19-14-12-17(13-15-19)16-23(3)20-10-7-6-8-11-20/h4-15H,16H2,1-3H3,(H,22,24)/b9-4-,18-5+
InChIKeyKBXDTTSHOBRQNY-HHUKGDAASA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
N-[4-[(N-methylanilino)methyl]phenyl]formamide
CID 166899743
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 87029555
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
N,N-dibenzylbut-2-enamide
CID 71340814
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300
N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
[2-[4-[benzyl(methyl)sulfamoyl]anilino]-2-oxoethyl] (E)-but-2-enoate
CID 9080876

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide?
The IUPAC name of (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide (CID 170063798) is (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide?
The canonical SMILES for (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide is C/C=C\C(=C/C)C(=O)Nc1ccc(CN(C)c2ccccc2)cc1.
What is the InChIKey of (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide?
The InChIKey is KBXDTTSHOBRQNY-HHUKGDAASA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-9-18(5-2)21(24)22-19-14-12-17(13-15-19)16-23(3)20-10-7-6-8-11-20/h4-15H,16H2,1-3H3,(H,22,24)/b9-4-,18-5+.
What are the key properties of (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide?
(Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide has a molecular weight of 320.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N-[4-[(N-methylanilino)methyl]phenyl]pent-3-enamide is sourced from PubChem (CID 170063798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).