4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide

C15H21N3O2 — CID 6134713

IUPAC4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
SMILESCCCC/C(C)=N\NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H21N3O2/c1-4-5-6-11(2)17-18-15(20)13-7-9-14(10-8-13)16-12(3)19/h7-10H,4-6H2,1-3H3,(H,16,19)(H,18,20)/b17-11-
InChIKeySTFOWORRYFHAJM-BOPFTXTBSA-N
MW275.35 g/mol
LogP2.94
Rot. Bonds6

About 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide

4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide (PubChem CID 6134713) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
PubChem CID6134713
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
SMILESCCCC/C(C)=N\NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H21N3O2/c1-4-5-6-11(2)17-18-15(20)13-7-9-14(10-8-13)16-12(3)19/h7-10H,4-6H2,1-3H3,(H,16,19)(H,18,20)/b17-11-
InChIKeySTFOWORRYFHAJM-BOPFTXTBSA-N
XLogP2.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.94
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-[(E)-heptan-2-ylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 54784755
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119
N-[(E)-heptan-2-ylideneamino]-4-phenylbenzamide
CID 54784798
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
3-bromo-N-(hexan-2-ylideneamino)-4-methylbenzamide
CID 3260690
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide (CID 6134713) is 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide is CCCC/C(C)=N\NC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide?
The InChIKey is STFOWORRYFHAJM-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-6-11(2)17-18-15(20)13-7-9-14(10-8-13)16-12(3)19/h7-10H,4-6H2,1-3H3,(H,16,19)(H,18,20)/b17-11-.
What are the key properties of 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide?
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide is sourced from PubChem (CID 6134713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).