2-hydroxy-3-(octan-2-ylamino)propanamide

C11H24N2O2 — CID 106171085

IUPAC2-hydroxy-3-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NCC(O)C(N)=O
InChIInChI=1S/C11H24N2O2/c1-3-4-5-6-7-9(2)13-8-10(14)11(12)15/h9-10,13-14H,3-8H2,1-2H3,(H2,12,15)
InChIKeyOTUAWVYHYUGHMR-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.78
Rot. Bonds9

About 2-hydroxy-3-(octan-2-ylamino)propanamide

2-hydroxy-3-(octan-2-ylamino)propanamide (PubChem CID 106171085) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-hydroxy-3-(octan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(octan-2-ylamino)propanamide
PubChem CID106171085
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-hydroxy-3-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NCC(O)C(N)=O
InChIInChI=1S/C11H24N2O2/c1-3-4-5-6-7-9(2)13-8-10(14)11(12)15/h9-10,13-14H,3-8H2,1-2H3,(H2,12,15)
InChIKeyOTUAWVYHYUGHMR-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 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 ≤ 50.78
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

3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618
2-hydroxyoctadecanamide
CID 14598043
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
CID 107886724
4-methyl-1-(octan-2-ylamino)pentan-3-ol
CID 115723509
1-(heptan-2-ylamino)-3-methylpentan-2-ol
CID 115719538
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
CID 106174583
N-dodecan-2-ylpropanamide
CID 174988669

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(octan-2-ylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(octan-2-ylamino)propanamide (CID 106171085) is 2-hydroxy-3-(octan-2-ylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(octan-2-ylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(octan-2-ylamino)propanamide is CCCCCCC(C)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(octan-2-ylamino)propanamide?
The InChIKey is OTUAWVYHYUGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-4-5-6-7-9(2)13-8-10(14)11(12)15/h9-10,13-14H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 2-hydroxy-3-(octan-2-ylamino)propanamide?
2-hydroxy-3-(octan-2-ylamino)propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(octan-2-ylamino)propanamide is sourced from PubChem (CID 106171085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).