4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide

C13H25N3O4 — CID 59766537

IUPAC4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide
SMILESCCOCCCC(=O)NCCCCO/N=C/C(=O)NC
InChIInChI=1S/C13H25N3O4/c1-3-19-9-6-7-12(17)15-8-4-5-10-20-16-11-13(18)14-2/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17)/b16-11+
InChIKeyHDXGAEUNHHOJBC-LFIBNONCSA-N
MW287.36 g/mol
LogP0.45
Rot. Bonds12

About 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide

4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide (PubChem CID 59766537) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide
PubChem CID59766537
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide
SMILESCCOCCCC(=O)NCCCCO/N=C/C(=O)NC
InChIInChI=1S/C13H25N3O4/c1-3-19-9-6-7-12(17)15-8-4-5-10-20-16-11-13(18)14-2/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17)/b16-11+
InChIKeyHDXGAEUNHHOJBC-LFIBNONCSA-N
XLogP0.45
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
N-(5-ethoxypentyl)propanamide
CID 91349564
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894
(2S)-2-acetamido-N-methyl-N'-[(2Z)-2-[4-(pentanoylamino)butoxyimino]ethyl]pentanediamide
CID 91134427
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
N'-[3-[2-[2-[3-(3-chloropropanoylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 126550925
CID 169190202
CID 169190202
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide?
The IUPAC name of 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide (CID 59766537) is 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide is CCOCCCC(=O)NCCCCO/N=C/C(=O)NC.
What is the InChIKey of 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide?
The InChIKey is HDXGAEUNHHOJBC-LFIBNONCSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-3-19-9-6-7-12(17)15-8-4-5-10-20-16-11-13(18)14-2/h11H,3-10H2,1-2H3,(H,14,18)(H,15,17)/b16-11+.
What are the key properties of 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide?
4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide has a molecular weight of 287.36 g/mol, XLogP of 0.45, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[(E)-[2-(methylamino)-2-oxoethylidene]amino]oxybutyl]butanamide is sourced from PubChem (CID 59766537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).