N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide

C22H27N3O — CID 92530158

IUPACN-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide
SMILESCc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-17-10-12-19(13-11-17)14-15-21(18(2)16-25(3)4)23-24-22(26)20-8-6-5-7-9-20/h5-15,18H,16H2,1-4H3,(H,24,26)/b15-14+,23-21-/t18-/m0/s1
InChIKeyUKCRSDLYVLZMKP-CNTQNIPESA-N
MW349.48 g/mol
LogP3.99
Rot. Bonds7

About N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide

N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide (PubChem CID 92530158) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide
PubChem CID92530158
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide
SMILESCc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-17-10-12-19(13-11-17)14-15-21(18(2)16-25(3)4)23-24-22(26)20-8-6-5-7-9-20/h5-15,18H,16H2,1-4H3,(H,24,26)/b15-14+,23-21-/t18-/m0/s1
InChIKeyUKCRSDLYVLZMKP-CNTQNIPESA-N
XLogP3.99
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-ylidene]amino]benzamide;hydrochloride
CID 50988749
N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]aniline
CID 92530167
N-[(Z)-[(Z,4S)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530142
N-[(Z)-[(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-ylidene]amino]aniline;hydrochloride
CID 6514853
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
(E)-3-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]phenyl]prop-2-enoic acid
CID 82949775
(2-benzamido-2-oxoethyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 42969620
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
CID 86037517
4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide
CID 46187414

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide (CID 92530158) is N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide is Cc1ccc(/C=C/C(=N/NC(=O)c2ccccc2)[C@@H](C)CN(C)C)cc1.
What is the InChIKey of N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide?
The InChIKey is UKCRSDLYVLZMKP-CNTQNIPESA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-10-12-19(13-11-17)14-15-21(18(2)16-25(3)4)23-24-22(26)20-8-6-5-7-9-20/h5-15,18H,16H2,1-4H3,(H,24,26)/b15-14+,23-21-/t18-/m0/s1.
What are the key properties of N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide?
N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide has a molecular weight of 349.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E,4S)-5-(dimethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-ylidene]amino]benzamide is sourced from PubChem (CID 92530158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).