3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide

C11H24N2O2 — CID 103021411

IUPAC3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
SMILESCCCNCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C11H24N2O2/c1-5-6-12-7-8-13-10(14)9-11(2,3)15-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyXTUPKBIEPJWDGX-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.92
Rot. Bonds8

About 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide

3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide (PubChem CID 103021411) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
PubChem CID103021411
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
SMILESCCCNCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C11H24N2O2/c1-5-6-12-7-8-13-10(14)9-11(2,3)15-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyXTUPKBIEPJWDGX-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
CID 62659177
N-(2-methoxy-2-methylpropyl)-2-(propylamino)acetamide
CID 104761261
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
N-(cyanomethyl)-3-methoxy-3-methylbutanamide
CID 103020097
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
CID 103021720
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
N,3-dimethoxy-3-methylbutanamide
CID 103021007
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide (CID 103021411) is 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide is CCCNCCNC(=O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide?
The InChIKey is XTUPKBIEPJWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-6-12-7-8-13-10(14)9-11(2,3)15-4/h12H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide?
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 103021411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).