4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide

C12H25NO3 — CID 86044769

IUPAC4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide
SMILESCOCC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)13(10(3)4)12(15)7-6-11(14)8-16-5/h9-11,14H,6-8H2,1-5H3
InChIKeyQBNLLMMONPPXIP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.42
Rot. Bonds7

About 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide

4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide (PubChem CID 86044769) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide
PubChem CID86044769
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide
SMILESCOCC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)13(10(3)4)12(15)7-6-11(14)8-16-5/h9-11,14H,6-8H2,1-5H3
InChIKeyQBNLLMMONPPXIP-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diisopropyl-4-hydroxypentanamide
CID 11206451
N-cyclohexyl-4-(2-hydroxybutoxy)-N-methylbutanamide
CID 20700553
ethane;4-hydroxy-N,N-di(propan-2-yl)pentanamide
CID 123902695
N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide
CID 139697255
5-hydroxy-N-methyl-N-pentan-3-ylpentanamide
CID 79193499
N-butan-2-yl-N-butyl-5-hydroxypentanamide
CID 79199021
5-hydroxy-N-methyl-N-pentan-2-ylpentanamide
CID 79199050
5-hydroxy-N-pentyl-N-propan-2-ylpentanamide
CID 79199113
5-hydroxy-N-methyl-N-propan-2-ylpentanamide
CID 79199168
N-butan-2-yl-N-ethyl-5-hydroxypentanamide
CID 79199443
N-ethyl-5-hydroxy-N-propan-2-ylpentanamide
CID 79199528
N-butan-2-yl-5-hydroxy-N-methylpentanamide
CID 79199606

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide?
The IUPAC name of 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide (CID 86044769) is 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide.
What is the SMILES notation for 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide?
The canonical SMILES for 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide is COCC(O)CCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide?
The InChIKey is QBNLLMMONPPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)13(10(3)4)12(15)7-6-11(14)8-16-5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide?
4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide has a molecular weight of 231.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-N,N-di(propan-2-yl)pentanamide is sourced from PubChem (CID 86044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).