2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide

C13H24N2O4 — CID 106297435

IUPAC2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1(CO)CCOCC1)C(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)11(14-10(3)17)12(18)15-13(8-16)4-6-19-7-5-13/h9,11,16H,4-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyZICKWHKVLPBCAT-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.20
Rot. Bonds5

About 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide

2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide (PubChem CID 106297435) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide
PubChem CID106297435
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1(CO)CCOCC1)C(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)11(14-10(3)17)12(18)15-13(8-16)4-6-19-7-5-13/h9,11,16H,4-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyZICKWHKVLPBCAT-UHFFFAOYSA-N
XLogP-0.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide (CID 106297435) is 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide is CC(=O)NC(C(=O)NC1(CO)CCOCC1)C(C)C.
What is the InChIKey of 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide?
The InChIKey is ZICKWHKVLPBCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)11(14-10(3)17)12(18)15-13(8-16)4-6-19-7-5-13/h9,11,16H,4-8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide?
2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide has a molecular weight of 272.34 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutanamide is sourced from PubChem (CID 106297435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).