4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide

C9H20N2O2 — CID 155183482

IUPAC4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(O)CN(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-9(13)5-8(12)6-11(3)4/h7-8,12H,5-6H2,1-4H3,(H,10,13)
InChIKeyQUDXUEFBOXPGSO-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.18
Rot. Bonds5

About 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide

4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide (PubChem CID 155183482) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide
PubChem CID155183482
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(O)CN(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-9(13)5-8(12)6-11(3)4/h7-8,12H,5-6H2,1-4H3,(H,10,13)
InChIKeyQUDXUEFBOXPGSO-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide?
The IUPAC name of 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide (CID 155183482) is 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(O)CN(C)C.
What is the InChIKey of 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide?
The InChIKey is QUDXUEFBOXPGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)10-9(13)5-8(12)6-11(3)4/h7-8,12H,5-6H2,1-4H3,(H,10,13).
What are the key properties of 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide?
4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide has a molecular weight of 188.27 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-hydroxy-N-propan-2-ylbutanamide is sourced from PubChem (CID 155183482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).