2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide

C12H26N2O3 — CID 114151909

IUPAC2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCCC(C)CO
InChIInChI=1S/C12H26N2O3/c1-11(10-15)5-3-6-13-9-12(16)14-7-4-8-17-2/h11,13,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyAHKPLRQYGAFGAD-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.14
Rot. Bonds11

About 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide

2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 114151909) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID114151909
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCCC(C)CO
InChIInChI=1S/C12H26N2O3/c1-11(10-15)5-3-6-13-9-12(16)14-7-4-8-17-2/h11,13,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyAHKPLRQYGAFGAD-UHFFFAOYSA-N
XLogP0.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.14
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-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
CID 106160068
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
2-(6-hydroxyhexylamino)-N-(2-methoxyethyl)acetamide
CID 107703585
2-[[(5-hydroxy-4-methylpentyl)amino]methyl]prop-2-enoic acid
CID 106162293

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide (CID 114151909) is 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCCCC(C)CO.
What is the InChIKey of 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is AHKPLRQYGAFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(10-15)5-3-6-13-9-12(16)14-7-4-8-17-2/h11,13,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide?
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.14, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 114151909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).