(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide

C17H19N3O2 — CID 136670442

IUPAC(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)N/N=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-7-15(8-4-12)19-13(2)17(22)20-18-11-14-5-9-16(21)10-6-14/h3-11,13,19,21H,1-2H3,(H,20,22)/b18-11-/t13-/m1/s1
InChIKeyLUXALYKHXJRBII-NCUBORBFSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds5

About (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide

(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide (PubChem CID 136670442) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
PubChem CID136670442
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)N/N=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-7-15(8-4-12)19-13(2)17(22)20-18-11-14-5-9-16(21)10-6-14/h3-11,13,19,21H,1-2H3,(H,20,22)/b18-11-/t13-/m1/s1
InChIKeyLUXALYKHXJRBII-NCUBORBFSA-N
XLogP2.65
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
(2R)-2-(3,4-dichloroanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 7072993
(2R)-2-(2,6-dimethylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135850815
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
(2S)-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670500
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
The IUPAC name of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide (CID 136670442) is (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide is Cc1ccc(N[C@H](C)C(=O)N/N=C\c2ccc(O)cc2)cc1.
What is the InChIKey of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
The InChIKey is LUXALYKHXJRBII-NCUBORBFSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-3-7-15(8-4-12)19-13(2)17(22)20-18-11-14-5-9-16(21)10-6-14/h3-11,13,19,21H,1-2H3,(H,20,22)/b18-11-/t13-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide has a molecular weight of 297.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide is sourced from PubChem (CID 136670442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).