2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide

C15H23N3O2 — CID 6167892

IUPAC2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)N/N=C(/C)CC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-12(3)17-18-15(19)10-16-13-5-7-14(20-4)8-6-13/h5-8,11,16H,9-10H2,1-4H3,(H,18,19)/b17-12-
InChIKeyJDSIZGZMKHZQPH-ATVHPVEESA-N
MW277.37 g/mol
LogP2.65
Rot. Bonds7

About 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide

2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide (PubChem CID 6167892) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
PubChem CID6167892
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)N/N=C(/C)CC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-12(3)17-18-15(19)10-16-13-5-7-14(20-4)8-6-13/h5-8,11,16H,9-10H2,1-4H3,(H,18,19)/b17-12-
InChIKeyJDSIZGZMKHZQPH-ATVHPVEESA-N
XLogP2.65
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
CID 968169
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
CID 6025913
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
CID 102095351
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
CID 7933106
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 135612298
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide
CID 135270539
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide (CID 6167892) is 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide is COc1ccc(NCC(=O)N/N=C(/C)CC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
The InChIKey is JDSIZGZMKHZQPH-ATVHPVEESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)9-12(3)17-18-15(19)10-16-13-5-7-14(20-4)8-6-13/h5-8,11,16H,9-10H2,1-4H3,(H,18,19)/b17-12-.
What are the key properties of 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide is sourced from PubChem (CID 6167892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).