ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide

C19H41NO5 — CID 145408337

IUPACethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
SMILESCC.CC.CC.CC(=O)CCOCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C13H23NO5.3C2H6/c1-11(15)3-4-13(17)14-6-8-19-10-9-18-7-5-12(2)16;3*1-2/h3-10H2,1-2H3,(H,14,17);3*1-2H3
InChIKeyWKLLPHINCNACTR-UHFFFAOYSA-N
MW363.54 g/mol
LogP3.56
Rot. Bonds12

About ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide (PubChem CID 145408337) has the molecular formula C19H41NO5 and a molecular weight of 363.54 g/mol. Its IUPAC name is ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide.

Molecular Properties

Compound Nameethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
PubChem CID145408337
Molecular FormulaC19H41NO5
Molecular Weight363.54 g/mol
Exact Mass363.30
IUPAC Nameethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
SMILESCC.CC.CC.CC(=O)CCOCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C13H23NO5.3C2H6/c1-11(15)3-4-13(17)14-6-8-19-10-9-18-7-5-12(2)16;3*1-2/h3-10H2,1-2H3,(H,14,17);3*1-2H3
InChIKeyWKLLPHINCNACTR-UHFFFAOYSA-N
XLogP3.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane
CID 156743442
2-(3-oxobutoxy)ethylurea
CID 176664573
4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
CID 178032711

Frequently Asked Questions

What is the IUPAC name of ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide?
The IUPAC name of ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide (CID 145408337) is ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide.
What is the SMILES notation for ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide?
The canonical SMILES for ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide is CC.CC.CC.CC(=O)CCOCCOCCNC(=O)CCC(C)=O.
What is the InChIKey of ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide?
The InChIKey is WKLLPHINCNACTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5.3C2H6/c1-11(15)3-4-13(17)14-6-8-19-10-9-18-7-5-12(2)16;3*1-2/h3-10H2,1-2H3,(H,14,17);3*1-2H3.
What are the key properties of ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide?
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide has a molecular weight of 363.54 g/mol, XLogP of 3.56, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide is sourced from PubChem (CID 145408337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).