3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide

C11H22N2O4 — CID 103712377

IUPAC3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
SMILESCOCCC(C)(O)CNC(=O)CCNC(C)=O
InChIInChI=1S/C11H22N2O4/c1-9(14)12-6-4-10(15)13-8-11(2,16)5-7-17-3/h16H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyKMVVOEZMPDKXMV-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.58
Rot. Bonds8

About 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide

3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide (PubChem CID 103712377) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
PubChem CID103712377
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
SMILESCOCCC(C)(O)CNC(=O)CCNC(C)=O
InChIInChI=1S/C11H22N2O4/c1-9(14)12-6-4-10(15)13-8-11(2,16)5-7-17-3/h16H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyKMVVOEZMPDKXMV-UHFFFAOYSA-N
XLogP-0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide (CID 103712377) is 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide is COCCC(C)(O)CNC(=O)CCNC(C)=O.
What is the InChIKey of 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The InChIKey is KMVVOEZMPDKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(14)12-6-4-10(15)13-8-11(2,16)5-7-17-3/h16H,4-8H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide has a molecular weight of 246.31 g/mol, XLogP of -0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide is sourced from PubChem (CID 103712377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).