2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

C12H26N2O3 — CID 55061227

IUPAC2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(O)CN(C)CC(=O)NCCCOC(C)C
InChIInChI=1S/C12H26N2O3/c1-10(2)17-7-5-6-13-12(16)9-14(4)8-11(3)15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyNWODANXZDKRWAV-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.23
Rot. Bonds9

About 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 55061227) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID55061227
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(O)CN(C)CC(=O)NCCCOC(C)C
InChIInChI=1S/C12H26N2O3/c1-10(2)17-7-5-6-13-12(16)9-14(4)8-11(3)15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyNWODANXZDKRWAV-UHFFFAOYSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 55007746
2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
CID 43442393
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
2-[methyl(piperidin-2-ylmethyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 106635112
N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62333195
2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 60696638
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
2-[(2-hydroxycyclohexyl)-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 102636534
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 55061227) is 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is CC(O)CN(C)CC(=O)NCCCOC(C)C.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NWODANXZDKRWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-10(2)17-7-5-6-13-12(16)9-14(4)8-11(3)15/h10-11,15H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 55061227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).