4-amino-N-(6-oxohexyl)butanamide

C10H20N2O2 — CID 155175150

IUPAC4-amino-N-(6-oxohexyl)butanamide
SMILESNCCCC(=O)NCCCCCC=O
InChIInChI=1S/C10H20N2O2/c11-7-5-6-10(14)12-8-3-1-2-4-9-13/h9H,1-8,11H2,(H,12,14)
InChIKeyNUROAQOJJQLAKN-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.60
Rot. Bonds9

About 4-amino-N-(6-oxohexyl)butanamide

4-amino-N-(6-oxohexyl)butanamide (PubChem CID 155175150) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-N-(6-oxohexyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(6-oxohexyl)butanamide
PubChem CID155175150
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-N-(6-oxohexyl)butanamide
SMILESNCCCC(=O)NCCCCCC=O
InChIInChI=1S/C10H20N2O2/c11-7-5-6-10(14)12-8-3-1-2-4-9-13/h9H,1-8,11H2,(H,12,14)
InChIKeyNUROAQOJJQLAKN-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
6-oxo-N-pentylhexanamide
CID 90124095
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-oxohexyl)butanamide?
The IUPAC name of 4-amino-N-(6-oxohexyl)butanamide (CID 155175150) is 4-amino-N-(6-oxohexyl)butanamide.
What is the SMILES notation for 4-amino-N-(6-oxohexyl)butanamide?
The canonical SMILES for 4-amino-N-(6-oxohexyl)butanamide is NCCCC(=O)NCCCCCC=O.
What is the InChIKey of 4-amino-N-(6-oxohexyl)butanamide?
The InChIKey is NUROAQOJJQLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-7-5-6-10(14)12-8-3-1-2-4-9-13/h9H,1-8,11H2,(H,12,14).
What are the key properties of 4-amino-N-(6-oxohexyl)butanamide?
4-amino-N-(6-oxohexyl)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-oxohexyl)butanamide is sourced from PubChem (CID 155175150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).