4-amino-N-(4-oxobutyl)butanamide

C8H16N2O2 — CID 123471049

IUPAC4-amino-N-(4-oxobutyl)butanamide
SMILESNCCCC(=O)NCCCC=O
InChIInChI=1S/C8H16N2O2/c9-5-3-4-8(12)10-6-1-2-7-11/h7H,1-6,9H2,(H,10,12)
InChIKeyAMWUIMBQJCSPQW-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.18
Rot. Bonds7

About 4-amino-N-(4-oxobutyl)butanamide

4-amino-N-(4-oxobutyl)butanamide (PubChem CID 123471049) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-amino-N-(4-oxobutyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-oxobutyl)butanamide
PubChem CID123471049
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-amino-N-(4-oxobutyl)butanamide
SMILESNCCCC(=O)NCCCC=O
InChIInChI=1S/C8H16N2O2/c9-5-3-4-8(12)10-6-1-2-7-11/h7H,1-6,9H2,(H,10,12)
InChIKeyAMWUIMBQJCSPQW-UHFFFAOYSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.18
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

4-amino-N-(6-oxohexyl)butanamide
CID 155175150
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
5-amino-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110523
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
5-oxo-N-(3-trimethylsilylpropyl)pentanamide
CID 18730827
6-oxo-N-pentylhexanamide
CID 90124095
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-oxobutyl)butanamide?
The IUPAC name of 4-amino-N-(4-oxobutyl)butanamide (CID 123471049) is 4-amino-N-(4-oxobutyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-oxobutyl)butanamide?
The canonical SMILES for 4-amino-N-(4-oxobutyl)butanamide is NCCCC(=O)NCCCC=O.
What is the InChIKey of 4-amino-N-(4-oxobutyl)butanamide?
The InChIKey is AMWUIMBQJCSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-5-3-4-8(12)10-6-1-2-7-11/h7H,1-6,9H2,(H,10,12).
What are the key properties of 4-amino-N-(4-oxobutyl)butanamide?
4-amino-N-(4-oxobutyl)butanamide has a molecular weight of 172.23 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-oxobutyl)butanamide is sourced from PubChem (CID 123471049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).