(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide

C16H23NO2 — CID 110617152

IUPAC(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NCCCCOC
InChIInChI=1S/C16H23NO2/c1-3-15(13-14-9-5-4-6-10-14)16(18)17-11-7-8-12-19-2/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,17,18)/b15-13+
InChIKeyOJELTZQMTSQGBT-FYWRMAATSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds8

About (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide

(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide (PubChem CID 110617152) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide.

Molecular Properties

Compound Name(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
PubChem CID110617152
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NCCCCOC
InChIInChI=1S/C16H23NO2/c1-3-15(13-14-9-5-4-6-10-14)16(18)17-11-7-8-12-19-2/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,17,18)/b15-13+
InChIKeyOJELTZQMTSQGBT-FYWRMAATSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578
3-oxo-3-(pentylamino)-1-phenylprop-1-ene-2-sulfonic acid
CID 174538982
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
2-benzylidene-4-methoxybutanoic acid
CID 150039493
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
CID 110298754
N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3726338
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
phenyl N-(3-methoxypropyl)carbamate
CID 60636020

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide?
The IUPAC name of (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide (CID 110617152) is (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide.
What is the SMILES notation for (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide?
The canonical SMILES for (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide is CC/C(=C\c1ccccc1)C(=O)NCCCCOC.
What is the InChIKey of (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide?
The InChIKey is OJELTZQMTSQGBT-FYWRMAATSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(13-14-9-5-4-6-10-14)16(18)17-11-7-8-12-19-2/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,17,18)/b15-13+.
What are the key properties of (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide?
(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-N-(4-methoxybutyl)butanamide is sourced from PubChem (CID 110617152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).