N-(2-hydroxy-3-methylbutyl)propanamide

C8H17NO2 — CID 115701495

IUPACN-(2-hydroxy-3-methylbutyl)propanamide
SMILESCCC(=O)NCC(O)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-8(11)9-5-7(10)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyNPUNQYONCGTAFG-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds4

About N-(2-hydroxy-3-methylbutyl)propanamide

N-(2-hydroxy-3-methylbutyl)propanamide (PubChem CID 115701495) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)propanamide
PubChem CID115701495
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(2-hydroxy-3-methylbutyl)propanamide
SMILESCCC(=O)NCC(O)C(C)C
InChIInChI=1S/C8H17NO2/c1-4-8(11)9-5-7(10)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11)
InChIKeyNPUNQYONCGTAFG-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide
CID 89219701
N-(2-bromopropyl)propanamide
CID 87559070
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746120
ethane;N-(2-methylbutyl)propanamide
CID 177054062
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
ethyl N-(2-hydroxy-3-methylbutyl)carbamate
CID 112702713

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)propanamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)propanamide (CID 115701495) is N-(2-hydroxy-3-methylbutyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)propanamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)propanamide is CCC(=O)NCC(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)propanamide?
The InChIKey is NPUNQYONCGTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(11)9-5-7(10)6(2)3/h6-7,10H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(2-hydroxy-3-methylbutyl)propanamide?
N-(2-hydroxy-3-methylbutyl)propanamide has a molecular weight of 159.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)propanamide is sourced from PubChem (CID 115701495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).