2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide

C19H23N3O2 — CID 135788625

IUPAC2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C/c2cc(C)c(O)c(C)c2)cc1C
InChIInChI=1S/C19H23N3O2/c1-12-5-6-17(9-13(12)2)20-11-18(23)22-21-10-16-7-14(3)19(24)15(4)8-16/h5-10,20,24H,11H2,1-4H3,(H,22,23)/b21-10+
InChIKeyAMKSIMARGDNXJG-UFFVCSGVSA-N
MW325.41 g/mol
LogP3.19
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide

2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide (PubChem CID 135788625) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
PubChem CID135788625
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C/c2cc(C)c(O)c(C)c2)cc1C
InChIInChI=1S/C19H23N3O2/c1-12-5-6-17(9-13(12)2)20-11-18(23)22-21-10-16-7-14(3)19(24)15(4)8-16/h5-10,20,24H,11H2,1-4H3,(H,22,23)/b21-10+
InChIKeyAMKSIMARGDNXJG-UFFVCSGVSA-N
XLogP3.19
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.19
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

2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-(3,4-dimethylanilino)acetamide
CID 131854027
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788584
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137180677
2-bromo-N-[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4216043
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
N-[(Z)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-iodo-3-methylanilino)acetamide
CID 5498614
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide (CID 135788625) is 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide is Cc1ccc(NCC(=O)N/N=C/c2cc(C)c(O)c(C)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
The InChIKey is AMKSIMARGDNXJG-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-5-6-17(9-13(12)2)20-11-18(23)22-21-10-16-7-14(3)19(24)15(4)8-16/h5-10,20,24H,11H2,1-4H3,(H,22,23)/b21-10+.
What are the key properties of 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135788625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).