N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide

C15H23N3O — CID 6169328

IUPACN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1C)C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-11-8-6-7-9-13(11)16-10-14(19)18-17-12(2)15(3,4)5/h6-9,16H,10H2,1-5H3,(H,18,19)/b17-12-
InChIKeyCMTOQGDDBVJZHN-ATVHPVEESA-N
MW261.37 g/mol
LogP2.95
Rot. Bonds4

About N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide

N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 6169328) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide
PubChem CID6169328
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1C)C(C)(C)C
InChIInChI=1S/C15H23N3O/c1-11-8-6-7-9-13(11)16-10-14(19)18-17-12(2)15(3,4)5/h6-9,16H,10H2,1-5H3,(H,18,19)/b17-12-
InChIKeyCMTOQGDDBVJZHN-ATVHPVEESA-N
XLogP2.95
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
2-(2-methylanilino)acetohydrazide
CID 730478
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2-(2-methylanilino)acetamide
CID 93046781
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 6053899
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
CID 6381920
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylanilino)acetamide
CID 2850395
2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5405124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide (CID 6169328) is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide is C/C(=N/NC(=O)CNc1ccccc1C)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is CMTOQGDDBVJZHN-ATVHPVEESA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-6-7-9-13(11)16-10-14(19)18-17-12(2)15(3,4)5/h6-9,16H,10H2,1-5H3,(H,18,19)/b17-12-.
What are the key properties of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide?
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 6169328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).