2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide

C12H17N3O — CID 7933305

IUPAC2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
SMILESCC/C(C)=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C12H17N3O/c1-3-10(2)14-15-12(16)9-13-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,15,16)/b14-10-
InChIKeyCAVLSRNEDHMAKN-UVTDQMKNSA-N
MW219.29 g/mol
LogP2.00
Rot. Bonds5

About 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide

2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide (PubChem CID 7933305) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
PubChem CID7933305
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
SMILESCC/C(C)=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C12H17N3O/c1-3-10(2)14-15-12(16)9-13-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,15,16)/b14-10-
InChIKeyCAVLSRNEDHMAKN-UVTDQMKNSA-N
XLogP2.00
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.00
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)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
1-(butan-2-ylideneamino)-3-phenylurea
CID 904424
2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
CID 7933313
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide
CID 97002883
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6321738
2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
CID 46177792
(E)-5-anilino-4-methylpent-3-en-2-one
CID 143995368

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide (CID 7933305) is 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide is CC/C(C)=N\NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide?
The InChIKey is CAVLSRNEDHMAKN-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-10(2)14-15-12(16)9-13-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3,(H,15,16)/b14-10-.
What are the key properties of 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide?
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide has a molecular weight of 219.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide is sourced from PubChem (CID 7933305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).