N-(2,3-dihydroxypropyl)butanamide

C7H15NO3 — CID 20700885

IUPACN-(2,3-dihydroxypropyl)butanamide
SMILESCCCC(=O)NCC(O)CO
InChIInChI=1S/C7H15NO3/c1-2-3-7(11)8-4-6(10)5-9/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyLAVYZMYQWIRTEA-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.74
Rot. Bonds5

About N-(2,3-dihydroxypropyl)butanamide

N-(2,3-dihydroxypropyl)butanamide (PubChem CID 20700885) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)butanamide
PubChem CID20700885
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN-(2,3-dihydroxypropyl)butanamide
SMILESCCCC(=O)NCC(O)CO
InChIInChI=1S/C7H15NO3/c1-2-3-7(11)8-4-6(10)5-9/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyLAVYZMYQWIRTEA-UHFFFAOYSA-N
XLogP-0.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
3-acetamido-N-(2,3-dihydroxypropyl)propanamide
CID 66177308
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714
N-(2,3-dihydroxypropyl)-4-(methylamino)butanamide
CID 66168913
N-(2,3-dihydroxypropyl)-2-propoxyacetamide
CID 107939672
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
N-(2-chloropropyl)butanamide
CID 57294659
N-(2-hydroxypentyl)pentanamide
CID 115700612
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)butanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)butanamide (CID 20700885) is N-(2,3-dihydroxypropyl)butanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)butanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)butanamide is CCCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)butanamide?
The InChIKey is LAVYZMYQWIRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-7(11)8-4-6(10)5-9/h6,9-10H,2-5H2,1H3,(H,8,11).
What are the key properties of N-(2,3-dihydroxypropyl)butanamide?
N-(2,3-dihydroxypropyl)butanamide has a molecular weight of 161.20 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)butanamide is sourced from PubChem (CID 20700885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).