2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide

C13H28N2O3 — CID 106148113

IUPAC2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H28N2O3/c1-13(2,7-5-8-16)10-15-12(17)11(14)6-4-9-18-3/h11,16H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyBICYQLUKKUTGHS-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.66
Rot. Bonds10

About 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide

2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide (PubChem CID 106148113) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
PubChem CID106148113
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H28N2O3/c1-13(2,7-5-8-16)10-15-12(17)11(14)6-4-9-18-3/h11,16H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyBICYQLUKKUTGHS-UHFFFAOYSA-N
XLogP0.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 81102476
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
CID 103899872
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
CID 62474428
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 106148043

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide (CID 106148113) is 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide is COCCCC(N)C(=O)NCC(C)(C)CCCO.
What is the InChIKey of 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide?
The InChIKey is BICYQLUKKUTGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-13(2,7-5-8-16)10-15-12(17)11(14)6-4-9-18-3/h11,16H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide?
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide has a molecular weight of 260.38 g/mol, XLogP of 0.66, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide is sourced from PubChem (CID 106148113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).