(3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide

C12H25NO2 — CID 162405134

IUPAC(3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide
SMILESCC(C)[C@@H](O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)11(14)7-12(15)13(9(3)4)10(5)6/h8-11,14H,7H2,1-6H3/t11-/m0/s1
InChIKeySHAIRXFWMWVFRD-NSHDSACASA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds5

About (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide

(3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide (PubChem CID 162405134) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide
PubChem CID162405134
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide
SMILESCC(C)[C@@H](O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)11(14)7-12(15)13(9(3)4)10(5)6/h8-11,14H,7H2,1-6H3/t11-/m0/s1
InChIKeySHAIRXFWMWVFRD-NSHDSACASA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide?
The IUPAC name of (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide (CID 162405134) is (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide.
What is the SMILES notation for (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide?
The canonical SMILES for (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide is CC(C)[C@@H](O)CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide?
The InChIKey is SHAIRXFWMWVFRD-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)11(14)7-12(15)13(9(3)4)10(5)6/h8-11,14H,7H2,1-6H3/t11-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide?
(3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-methyl-N,N-di(propan-2-yl)pentanamide is sourced from PubChem (CID 162405134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).