N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide

C20H38N2O3 — CID 159869240

IUPACN-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide
SMILESCCCC(=O)CCCCN(CCCCNC(=O)CCC)C(=O)CCC
InChIInChI=1S/C20H38N2O3/c1-4-11-18(23)14-7-9-16-22(20(25)13-6-3)17-10-8-15-21-19(24)12-5-2/h4-17H2,1-3H3,(H,21,24)
InChIKeyNSCWZEMZYFCXKD-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.85
Rot. Bonds16

About N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide

N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide (PubChem CID 159869240) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide.

Molecular Properties

Compound NameN-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide
PubChem CID159869240
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC NameN-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide
SMILESCCCC(=O)CCCCN(CCCCNC(=O)CCC)C(=O)CCC
InChIInChI=1S/C20H38N2O3/c1-4-11-18(23)14-7-9-16-22(20(25)13-6-3)17-10-8-15-21-19(24)12-5-2/h4-17H2,1-3H3,(H,21,24)
InChIKeyNSCWZEMZYFCXKD-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-[4-[4-[2-(dimethylamino)ethylamino]pent-4-enoyl-(7-oxoicosyl)amino]butyl]tetradecanamide
CID 178107819
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-(8-oxotridecyl)hexanamide
CID 148531467
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
N-(5-oxooctyl)-7-(propylamino)heptanamide
CID 59091179
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
CID 23394473
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
CID 82323403

Frequently Asked Questions

What is the IUPAC name of N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide?
The IUPAC name of N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide (CID 159869240) is N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide.
What is the SMILES notation for N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide?
The canonical SMILES for N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide is CCCC(=O)CCCCN(CCCCNC(=O)CCC)C(=O)CCC.
What is the InChIKey of N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide?
The InChIKey is NSCWZEMZYFCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-4-11-18(23)14-7-9-16-22(20(25)13-6-3)17-10-8-15-21-19(24)12-5-2/h4-17H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide?
N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide has a molecular weight of 354.54 g/mol, XLogP of 3.85, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butanoyl(5-oxooctyl)amino]butyl]butanamide is sourced from PubChem (CID 159869240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).