4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide

C12H26N2O3 — CID 103489985

IUPAC4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOC(C)COCC)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-4-7-14-11(12(13)15)6-8-17-10(3)9-16-5-2/h10-11,14H,4-9H2,1-3H3,(H2,13,15)
InChIKeyAZWLZPVDEUGGDL-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds11

About 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide

4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide (PubChem CID 103489985) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
PubChem CID103489985
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
SMILESCCCNC(CCOC(C)COCC)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-4-7-14-11(12(13)15)6-8-17-10(3)9-16-5-2/h10-11,14H,4-9H2,1-3H3,(H2,13,15)
InChIKeyAZWLZPVDEUGGDL-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984
methyl 4-(4-methylpentan-2-yloxy)-2-(propylamino)butanoate
CID 55144533
3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
CID 106448880
4-(4-ethoxyphenoxy)-2-(propylamino)butanamide
CID 63039148
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
CID 63690176
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide (CID 103489985) is 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide is CCCNC(CCOC(C)COCC)C(N)=O.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide?
The InChIKey is AZWLZPVDEUGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-7-14-11(12(13)15)6-8-17-10(3)9-16-5-2/h10-11,14H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide?
4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide has a molecular weight of 246.35 g/mol, XLogP of 0.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide is sourced from PubChem (CID 103489985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).