2-hydroxy-3-methyl-N-propan-2-ylpentanamide

C9H19NO2 — CID 59882624

IUPAC2-hydroxy-3-methyl-N-propan-2-ylpentanamide
SMILESCCC(C)C(O)C(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(4)8(11)9(12)10-6(2)3/h6-8,11H,5H2,1-4H3,(H,10,12)
InChIKeyCVIDLMWJOHXJRF-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About 2-hydroxy-3-methyl-N-propan-2-ylpentanamide

2-hydroxy-3-methyl-N-propan-2-ylpentanamide (PubChem CID 59882624) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-propan-2-ylpentanamide
PubChem CID59882624
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-hydroxy-3-methyl-N-propan-2-ylpentanamide
SMILESCCC(C)C(O)C(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(4)8(11)9(12)10-6(2)3/h6-8,11H,5H2,1-4H3,(H,10,12)
InChIKeyCVIDLMWJOHXJRF-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2R,3S)-2-hydroxy-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 101466455
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
1-(3-methylpentan-2-yl)-3-propan-2-ylurea
CID 115591147
2-[[(1S)-1,2-dihydroxy-3-methylpentyl]amino]-N-propan-2-ylacetamide
CID 59115752
2-tert-butyl-N-propan-2-ylhexanamide
CID 21366386
2-(2-oxopentan-3-yloxy)-N-propan-2-ylpropanamide
CID 134460850
(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
CID 130268305
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
CID 142455323
2-methyl-N-propan-2-ylpentanamide
CID 4628268

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-hydroxy-3-methyl-N-propan-2-ylpentanamide (CID 59882624) is 2-hydroxy-3-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-propan-2-ylpentanamide is CCC(C)C(O)C(=O)NC(C)C.
What is the InChIKey of 2-hydroxy-3-methyl-N-propan-2-ylpentanamide?
The InChIKey is CVIDLMWJOHXJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(4)8(11)9(12)10-6(2)3/h6-8,11H,5H2,1-4H3,(H,10,12).
What are the key properties of 2-hydroxy-3-methyl-N-propan-2-ylpentanamide?
2-hydroxy-3-methyl-N-propan-2-ylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 59882624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).