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

C8H18N2O2 — CID 102695030

IUPAC3-amino-N-(2-methoxypropyl)butanamide
SMILESCOC(C)CNC(=O)CC(C)N
InChIInChI=1S/C8H18N2O2/c1-6(9)4-8(11)10-5-7(2)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyPLSZHMUVYALQGB-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.13
Rot. Bonds5

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

3-amino-N-(2-methoxypropyl)butanamide (PubChem CID 102695030) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-N-(2-methoxypropyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxypropyl)butanamide
PubChem CID102695030
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-N-(2-methoxypropyl)butanamide
SMILESCOC(C)CNC(=O)CC(C)N
InChIInChI=1S/C8H18N2O2/c1-6(9)4-8(11)10-5-7(2)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyPLSZHMUVYALQGB-UHFFFAOYSA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
methyl 2-(3-aminobutanoylamino)acetate
CID 60914832
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
N-(2-methoxypropyl)acetamide
CID 90876780
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
6-amino-4-ethyl-N-(2-methoxypropyl)hexanamide
CID 102694994
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
ethyl 4-(2-methoxypropylamino)-4-oxobutanoate
CID 102694605

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxypropyl)butanamide?
The IUPAC name of 3-amino-N-(2-methoxypropyl)butanamide (CID 102695030) is 3-amino-N-(2-methoxypropyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-methoxypropyl)butanamide?
The canonical SMILES for 3-amino-N-(2-methoxypropyl)butanamide is COC(C)CNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(2-methoxypropyl)butanamide?
The InChIKey is PLSZHMUVYALQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(9)4-8(11)10-5-7(2)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-N-(2-methoxypropyl)butanamide?
3-amino-N-(2-methoxypropyl)butanamide has a molecular weight of 174.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxypropyl)butanamide is sourced from PubChem (CID 102695030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).