3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide

C12H24N2O3 — CID 176567984

IUPAC3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide
SMILESCC(C)CCCCNC(=O)CNC(=O)CCO
InChIInChI=1S/C12H24N2O3/c1-10(2)5-3-4-7-13-12(17)9-14-11(16)6-8-15/h10,15H,3-9H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyBGIVFINYXBFYCG-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds9

About 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide

3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide (PubChem CID 176567984) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide
PubChem CID176567984
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide
SMILESCC(C)CCCCNC(=O)CNC(=O)CCO
InChIInChI=1S/C12H24N2O3/c1-10(2)5-3-4-7-13-12(17)9-14-11(16)6-8-15/h10,15H,3-9H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyBGIVFINYXBFYCG-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
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-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
3-amino-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide;propan-1-amine
CID 171639588
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-hexyl-6-methylheptanamide
CID 141197249
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide (CID 176567984) is 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide is CC(C)CCCCNC(=O)CNC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide?
The InChIKey is BGIVFINYXBFYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2)5-3-4-7-13-12(17)9-14-11(16)6-8-15/h10,15H,3-9H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide?
3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(5-methylhexylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 176567984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).