2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide

C12H26N2O3 — CID 62014011

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C12H26N2O3/c1-5-6-10(2)13-12(16)8-14(3)7-11(15)9-17-4/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyCGWKZTMDIDHCJZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.23
Rot. Bonds9

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide (PubChem CID 62014011) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
PubChem CID62014011
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)CC(O)COC
InChIInChI=1S/C12H26N2O3/c1-5-6-10(2)13-12(16)8-14(3)7-11(15)9-17-4/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyCGWKZTMDIDHCJZ-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

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Related Compounds

2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol
CID 66038780

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide (CID 62014011) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(C)CC(O)COC.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide?
The InChIKey is CGWKZTMDIDHCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-6-10(2)13-12(16)8-14(3)7-11(15)9-17-4/h10-11,15H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide 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-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 62014011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).