1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride

C19H25ClN4O2 — CID 24843887

IUPAC1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride
SMILESCOc1ccc(NC(=O)N/N=C(/CCN(C)C)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-23(2)14-13-18(15-7-5-4-6-8-15)21-22-19(24)20-16-9-11-17(25-3)12-10-16;/h4-12H,13-14H2,1-3H3,(H2,20,22,24);1H/b21-18-;
InChIKeyZVVTYACJPYYROP-WIPIHYDQSA-N
MW376.89 g/mol
LogP3.59
Rot. Bonds7

About 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride

1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride (PubChem CID 24843887) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride
PubChem CID24843887
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride
SMILESCOc1ccc(NC(=O)N/N=C(/CCN(C)C)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-23(2)14-13-18(15-7-5-4-6-8-15)21-22-19(24)20-16-9-11-17(25-3)12-10-16;/h4-12H,13-14H2,1-3H3,(H2,20,22,24);1H/b21-18-;
InChIKeyZVVTYACJPYYROP-WIPIHYDQSA-N
XLogP3.59
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.59
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride?
The IUPAC name of 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride (CID 24843887) is 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride.
What is the SMILES notation for 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride?
The canonical SMILES for 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride is COc1ccc(NC(=O)N/N=C(/CCN(C)C)c2ccccc2)cc1.Cl.
What is the InChIKey of 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride?
The InChIKey is ZVVTYACJPYYROP-WIPIHYDQSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-23(2)14-13-18(15-7-5-4-6-8-15)21-22-19(24)20-16-9-11-17(25-3)12-10-16;/h4-12H,13-14H2,1-3H3,(H2,20,22,24);1H/b21-18-;.
What are the key properties of 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride?
1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea;hydrochloride is sourced from PubChem (CID 24843887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).