N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide

C15H22N2O2 — CID 3778528

IUPACN-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
SMILESCCCCC(C)=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-12(2)16-17-15(18)11-13-7-9-14(19-3)10-8-13/h7-10H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyGAWSVIOMPFKCKS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds7

About N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide

N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide (PubChem CID 3778528) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
PubChem CID3778528
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
SMILESCCCCC(C)=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H22N2O2/c1-4-5-6-12(2)16-17-15(18)11-13-7-9-14(19-3)10-8-13/h7-10H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyGAWSVIOMPFKCKS-UHFFFAOYSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate
CID 5116737
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
CID 5371052
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
[2-(4-methoxyphenyl)acetyl] pentanoate
CID 91448797
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892

Frequently Asked Questions

What is the IUPAC name of N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide (CID 3778528) is N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide is CCCCC(C)=NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
The InChIKey is GAWSVIOMPFKCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-6-12(2)16-17-15(18)11-13-7-9-14(19-3)10-8-13/h7-10H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3778528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).