N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide

C13H18N2O2 — CID 17340092

IUPACN-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
SMILESCCCC(=O)N/N=C(\C)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O2/c1-4-5-13(16)15-14-10(2)11-6-8-12(17-3)9-7-11/h6-9H,4-5H2,1-3H3,(H,15,16)/b14-10+
InChIKeyKXUBUJKYRVHHCL-GXDHUFHOSA-N
MW234.30 g/mol
LogP2.34
Rot. Bonds5

About N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide

N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide (PubChem CID 17340092) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
PubChem CID17340092
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
SMILESCCCC(=O)N/N=C(\C)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O2/c1-4-5-13(16)15-14-10(2)11-6-8-12(17-3)9-7-11/h6-9H,4-5H2,1-3H3,(H,15,16)/b14-10+
InChIKeyKXUBUJKYRVHHCL-GXDHUFHOSA-N
XLogP2.34
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 ≤ 52.34
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,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
CID 6052542
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-methylpropanamide
CID 27877650

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide (CID 17340092) is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide is CCCC(=O)N/N=C(\C)c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide?
The InChIKey is KXUBUJKYRVHHCL-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-5-13(16)15-14-10(2)11-6-8-12(17-3)9-7-11/h6-9H,4-5H2,1-3H3,(H,15,16)/b14-10+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide?
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide has a molecular weight of 234.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide is sourced from PubChem (CID 17340092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).