(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide

C19H24N4O — CID 5403284

IUPAC(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
SMILESCc1ccc(N[C@@H](C)C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O/c1-14-5-9-17(10-6-14)21-15(2)19(24)22-20-13-16-7-11-18(12-8-16)23(3)4/h5-13,15,21H,1-4H3,(H,22,24)/b20-13-/t15-/m0/s1
InChIKeyZHMXZYQSTUGZPJ-HYTQYMIGSA-N
MW324.43 g/mol
LogP3.01
Rot. Bonds6

About (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide

(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide (PubChem CID 5403284) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
PubChem CID5403284
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
SMILESCc1ccc(N[C@@H](C)C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N4O/c1-14-5-9-17(10-6-14)21-15(2)19(24)22-20-13-16-7-11-18(12-8-16)23(3)4/h5-13,15,21H,1-4H3,(H,22,24)/b20-13-/t15-/m0/s1
InChIKeyZHMXZYQSTUGZPJ-HYTQYMIGSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.01
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

(2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide
CID 763383
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 7072993
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide?
The IUPAC name of (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide (CID 5403284) is (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide?
The canonical SMILES for (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide is Cc1ccc(N[C@@H](C)C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide?
The InChIKey is ZHMXZYQSTUGZPJ-HYTQYMIGSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-5-9-17(10-6-14)21-15(2)19(24)22-20-13-16-7-11-18(12-8-16)23(3)4/h5-13,15,21H,1-4H3,(H,22,24)/b20-13-/t15-/m0/s1.
What are the key properties of (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide?
(2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide has a molecular weight of 324.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)propanamide is sourced from PubChem (CID 5403284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).