5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide

C13H26N2O3 — CID 142297411

IUPAC5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide
SMILESCCCC(CC(N)C(O)C(=O)NC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-5-6-10(9(4)16)7-11(14)12(17)13(18)15-8(2)3/h8,10-12,17H,5-7,14H2,1-4H3,(H,15,18)
InChIKeyWCOJLXHSJYBWEF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.59
Rot. Bonds8

About 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide

5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide (PubChem CID 142297411) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide.

Molecular Properties

Compound Name5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide
PubChem CID142297411
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide
SMILESCCCC(CC(N)C(O)C(=O)NC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-5-6-10(9(4)16)7-11(14)12(17)13(18)15-8(2)3/h8,10-12,17H,5-7,14H2,1-4H3,(H,15,18)
InChIKeyWCOJLXHSJYBWEF-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
(2S,4S)-4-acetyl-2-aminoheptanal
CID 166691167
2-methyl-N-propan-2-ylpentanamide
CID 4628268
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
2-[(3-amino-1,2-dihydroxyhexyl)amino]-N-propan-2-ylacetamide
CID 21016265
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylpentanamide
CID 21366377
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
N-(4-methylpentan-2-yl)-2-propylpentanamide
CID 173327827

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide?
The IUPAC name of 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide (CID 142297411) is 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide.
What is the SMILES notation for 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide?
The canonical SMILES for 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide is CCCC(CC(N)C(O)C(=O)NC(C)C)C(C)=O.
What is the InChIKey of 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide?
The InChIKey is WCOJLXHSJYBWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-10(9(4)16)7-11(14)12(17)13(18)15-8(2)3/h8,10-12,17H,5-7,14H2,1-4H3,(H,15,18).
What are the key properties of 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide?
5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide has a molecular weight of 258.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-amino-2-hydroxy-N-propan-2-yloctanamide is sourced from PubChem (CID 142297411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).