N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride

C22H28ClN3O2 — CID 50988749

IUPACN-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride
SMILESCOc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)C(C)CN(C)C)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-17(16-25(2)3)21(15-12-18-10-13-20(27-4)14-11-18)23-24-22(26)19-8-6-5-7-9-19;/h5-15,17H,16H2,1-4H3,(H,24,26);1H/b15-12+,23-21-;
InChIKeyCZYGYKZGLWESDP-OLCNERONSA-N
MW401.94 g/mol
LogP4.11
Rot. Bonds8

About N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride

N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride (PubChem CID 50988749) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride
PubChem CID50988749
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride
SMILESCOc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)C(C)CN(C)C)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-17(16-25(2)3)21(15-12-18-10-13-20(27-4)14-11-18)23-24-22(26)19-8-6-5-7-9-19;/h5-15,17H,16H2,1-4H3,(H,24,26);1H/b15-12+,23-21-;
InChIKeyCZYGYKZGLWESDP-OLCNERONSA-N
XLogP4.11
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide
CID 92530158
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
CID 6514853
N-[1-(4-methoxyphenyl)-3-oxo-3-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 3360376
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 8864248
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
(E)-3-(4-methoxyphenyl)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6294288
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride?
The IUPAC name of N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride (CID 50988749) is N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride.
What is the SMILES notation for N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride?
The canonical SMILES for N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride is COc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)C(C)CN(C)C)cc1.Cl.
What is the InChIKey of N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride?
The InChIKey is CZYGYKZGLWESDP-OLCNERONSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-17(16-25(2)3)21(15-12-18-10-13-20(27-4)14-11-18)23-24-22(26)19-8-6-5-7-9-19;/h5-15,17H,16H2,1-4H3,(H,24,26);1H/b15-12+,23-21-;.
What are the key properties of N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride?
N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride is sourced from PubChem (CID 50988749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).