2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide

C9H19NO3 — CID 575854

IUPAC2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(O)C(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-6(2)10-8(13)7(12)9(3,4)5-11/h6-7,11-12H,5H2,1-4H3,(H,10,13)
InChIKeyJDWJPSYNCRDJGI-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.11
Rot. Bonds4

About 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide

2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide (PubChem CID 575854) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
PubChem CID575854
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(O)C(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-6(2)10-8(13)7(12)9(3,4)5-11/h6-7,11-12H,5H2,1-4H3,(H,10,13)
InChIKeyJDWJPSYNCRDJGI-UHFFFAOYSA-N
XLogP-0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide (CID 575854) is 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(O)C(C)(C)CO.
What is the InChIKey of 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is JDWJPSYNCRDJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(2)10-8(13)7(12)9(3,4)5-11/h6-7,11-12H,5H2,1-4H3,(H,10,13).
What are the key properties of 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide?
2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 189.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3,3-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 575854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).