(2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide

C20H22N2 — CID 143237112

IUPAC(2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide
SMILESC=C(/C=C\C(=N\C)Nc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2/c1-15-10-12-18(14-17(15)3)16(2)11-13-20(21-4)22-19-8-6-5-7-9-19/h5-14H,2H2,1,3-4H3,(H,21,22)/b13-11-
InChIKeyROVRPCUYGNSCNM-QBFSEMIESA-N
MW290.41 g/mol
LogP5.01
Rot. Bonds4

About (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide

(2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide (PubChem CID 143237112) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide
PubChem CID143237112
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide
SMILESC=C(/C=C\C(=N\C)Nc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2/c1-15-10-12-18(14-17(15)3)16(2)11-13-20(21-4)22-19-8-6-5-7-9-19/h5-14H,2H2,1,3-4H3,(H,21,22)/b13-11-
InChIKeyROVRPCUYGNSCNM-QBFSEMIESA-N
XLogP5.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
N-[(3E)-4-phenylpenta-1,3-dien-2-yl]aniline
CID 167145828
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110422011
1-(3,4-dimethylphenyl)-N-methylethanimine;(Z)-5-(3-methylanilino)-4-(prop-1-en-2-ylamino)pent-3-en-2-one
CID 143995314
4-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-enylamino)butanoic acid
CID 82322333
4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 58665582

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide (CID 143237112) is (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide is C=C(/C=C\C(=N\C)Nc1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide?
The InChIKey is ROVRPCUYGNSCNM-QBFSEMIESA-N. The full InChI is InChI=1S/C20H22N2/c1-15-10-12-18(14-17(15)3)16(2)11-13-20(21-4)22-19-8-6-5-7-9-19/h5-14H,2H2,1,3-4H3,(H,21,22)/b13-11-.
What are the key properties of (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide?
(2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide has a molecular weight of 290.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(3,4-dimethylphenyl)-N'-methyl-N-phenylpenta-2,4-dienimidamide is sourced from PubChem (CID 143237112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).