4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide

C17H31NO5 — CID 178032711

IUPAC4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
SMILESCCCC(=O)COCCCCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C17H31NO5/c1-3-7-16(20)14-23-12-6-4-5-11-22-13-10-18-17(21)9-8-15(2)19/h3-14H2,1-2H3,(H,18,21)
InChIKeyRCXOHKNQGWMCIV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds16

About 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide

4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide (PubChem CID 178032711) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
PubChem CID178032711
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
SMILESCCCC(=O)COCCCCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C17H31NO5/c1-3-7-16(20)14-23-12-6-4-5-11-22-13-10-18-17(21)9-8-15(2)19/h3-14H2,1-2H3,(H,18,21)
InChIKeyRCXOHKNQGWMCIV-UHFFFAOYSA-N
XLogP2.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
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

ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
1,4-dioctoxybutan-2-one
CID 71375550

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide?
The IUPAC name of 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide (CID 178032711) is 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide.
What is the SMILES notation for 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide?
The canonical SMILES for 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide is CCCC(=O)COCCCCCOCCNC(=O)CCC(C)=O.
What is the InChIKey of 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide?
The InChIKey is RCXOHKNQGWMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5/c1-3-7-16(20)14-23-12-6-4-5-11-22-13-10-18-17(21)9-8-15(2)19/h3-14H2,1-2H3,(H,18,21).
What are the key properties of 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide?
4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide has a molecular weight of 329.44 g/mol, XLogP of 2.04, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide is sourced from PubChem (CID 178032711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).