4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide

C11H24N2O2 — CID 20668910

IUPAC4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
SMILESCCC(C)CNCCNC(=O)CCCO
InChIInChI=1S/C11H24N2O2/c1-3-10(2)9-12-6-7-13-11(15)5-4-8-14/h10,12,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyODSJOEDBNURTGQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds9

About 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide

4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide (PubChem CID 20668910) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
PubChem CID20668910
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
SMILESCCC(C)CNCCNC(=O)CCCO
InChIInChI=1S/C11H24N2O2/c1-3-10(2)9-12-6-7-13-11(15)5-4-8-14/h10,12,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyODSJOEDBNURTGQ-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
2-(2-methylbutylamino)ethylurea
CID 83109541
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide (CID 20668910) is 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide is CCC(C)CNCCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide?
The InChIKey is ODSJOEDBNURTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-10(2)9-12-6-7-13-11(15)5-4-8-14/h10,12,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide?
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide is sourced from PubChem (CID 20668910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).