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

C13H18N2O2 — CID 968760

IUPACN-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
SMILESCCC(C)=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H18N2O2/c1-4-10(2)14-15-13(16)9-11-5-7-12(17-3)8-6-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyOTIQVGRIKUNGLW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds5

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

N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide (PubChem CID 968760) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
PubChem CID968760
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
SMILESCCC(C)=NNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H18N2O2/c1-4-10(2)14-15-13(16)9-11-5-7-12(17-3)8-6-11/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyOTIQVGRIKUNGLW-UHFFFAOYSA-N
XLogP2.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
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-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
ethyl 3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-2-methylbutanoate
CID 5116737
(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
CID 5371052
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
CID 9120892
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-(2,4-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3919740
(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 6016537
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide (CID 968760) is N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide is CCC(C)=NNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
The InChIKey is OTIQVGRIKUNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-10(2)14-15-13(16)9-11-5-7-12(17-3)8-6-11/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide?
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 968760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).