2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide

C12H26N2O3 — CID 106309954

IUPAC2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNCCCOCCO
InChIInChI=1S/C12H26N2O3/c1-11(2)4-6-14-12(16)10-13-5-3-8-17-9-7-15/h11,13,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyQAXMGRZZVLRYHS-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.14
Rot. Bonds11

About 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide

2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide (PubChem CID 106309954) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
PubChem CID106309954
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNCCCOCCO
InChIInChI=1S/C12H26N2O3/c1-11(2)4-6-14-12(16)10-13-5-3-8-17-9-7-15/h11,13,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyQAXMGRZZVLRYHS-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

N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-[3-(3-methylbutylamino)propoxy]ethanol
CID 103578781
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide (CID 106309954) is 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNCCCOCCO.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is QAXMGRZZVLRYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2)4-6-14-12(16)10-13-5-3-8-17-9-7-15/h11,13,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide?
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)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-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 106309954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).