2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide

C12H26N2O3 — CID 114154108

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide
SMILESCCC(C)(CCO)NCC(=O)NCCCOC
InChIInChI=1S/C12H26N2O3/c1-4-12(2,6-8-15)14-10-11(16)13-7-5-9-17-3/h14-15H,4-10H2,1-3H3,(H,13,16)
InChIKeyXBPRKAVHKZZEMD-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.28
Rot. Bonds10

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 114154108) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID114154108
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide
SMILESCCC(C)(CCO)NCC(=O)NCCCOC
InChIInChI=1S/C12H26N2O3/c1-4-12(2,6-8-15)14-10-11(16)13-7-5-9-17-3/h14-15H,4-10H2,1-3H3,(H,13,16)
InChIKeyXBPRKAVHKZZEMD-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.28
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

3-(3-methoxypropylamino)-3-methylpentan-1-ol
CID 103950077
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
N-(3-methoxypropyl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723889
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide (CID 114154108) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide is CCC(C)(CCO)NCC(=O)NCCCOC.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is XBPRKAVHKZZEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-12(2,6-8-15)14-10-11(16)13-7-5-9-17-3/h14-15H,4-10H2,1-3H3,(H,13,16).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 114154108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).