N-(2-hydroxy-3-methoxypropyl)butanamide

C8H17NO3 — CID 20700886

IUPACN-(2-hydroxy-3-methoxypropyl)butanamide
SMILESCCCC(=O)NCC(O)COC
InChIInChI=1S/C8H17NO3/c1-3-4-8(11)9-5-7(10)6-12-2/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyVWFPHEAPYMWLMS-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)butanamide

N-(2-hydroxy-3-methoxypropyl)butanamide (PubChem CID 20700886) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)butanamide
PubChem CID20700886
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameN-(2-hydroxy-3-methoxypropyl)butanamide
SMILESCCCC(=O)NCC(O)COC
InChIInChI=1S/C8H17NO3/c1-3-4-8(11)9-5-7(10)6-12-2/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyVWFPHEAPYMWLMS-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)butanamide
CID 20700885
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
CID 109408533
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(2-chloropropyl)butanamide
CID 57294659
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2,2-diethoxyethyl)butanamide
CID 79548415
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)butanamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)butanamide (CID 20700886) is N-(2-hydroxy-3-methoxypropyl)butanamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)butanamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)butanamide is CCCC(=O)NCC(O)COC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)butanamide?
The InChIKey is VWFPHEAPYMWLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-4-8(11)9-5-7(10)6-12-2/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)butanamide?
N-(2-hydroxy-3-methoxypropyl)butanamide has a molecular weight of 175.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)butanamide is sourced from PubChem (CID 20700886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).