N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride

C18H23ClN4O — CID 163329045

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
SMILESCc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1.Cl
InChIInChI=1S/C18H22N4O.ClH/c1-14-4-8-16(9-5-14)19-13-18(23)21-20-12-15-6-10-17(11-7-15)22(2)3;/h4-12,19H,13H2,1-3H3,(H,21,23);1H/b20-12+;
InChIKeyAYDSFUXDRFPFGM-BGDWDFROSA-N
MW346.86 g/mol
LogP3.05
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride (PubChem CID 163329045) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
PubChem CID163329045
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
SMILESCc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1.Cl
InChIInChI=1S/C18H22N4O.ClH/c1-14-4-8-16(9-5-14)19-13-18(23)21-20-12-15-6-10-17(11-7-15)22(2)3;/h4-12,19H,13H2,1-3H3,(H,21,23);1H/b20-12+;
InChIKeyAYDSFUXDRFPFGM-BGDWDFROSA-N
XLogP3.05
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.05
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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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
2-(4-bromoanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6107639
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 5403284
(2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 763383
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride (CID 163329045) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride is Cc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1.Cl.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride?
The InChIKey is AYDSFUXDRFPFGM-BGDWDFROSA-N. The full InChI is InChI=1S/C18H22N4O.ClH/c1-14-4-8-16(9-5-14)19-13-18(23)21-20-12-15-6-10-17(11-7-15)22(2)3;/h4-12,19H,13H2,1-3H3,(H,21,23);1H/b20-12+;.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride is sourced from PubChem (CID 163329045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).