3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide

C12H26N2O3 — CID 106666791

IUPAC3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide
SMILESCOC(C)(C)CCOCC(NC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-9(2)14-10(11(13)15)8-17-7-6-12(3,4)16-5/h9-10,14H,6-8H2,1-5H3,(H2,13,15)
InChIKeyZHPDGNWIYMAPPB-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds9

About 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide

3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide (PubChem CID 106666791) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide
PubChem CID106666791
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide
SMILESCOC(C)(C)CCOCC(NC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-9(2)14-10(11(13)15)8-17-7-6-12(3,4)16-5/h9-10,14H,6-8H2,1-5H3,(H2,13,15)
InChIKeyZHPDGNWIYMAPPB-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
CID 106666692
2-chloro-3-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668319
(3S)-4-(3-methoxy-3-methylbutoxy)-3-methylbutanal
CID 59869395
3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 106666319
methyl 4-(3-methoxy-3-methylbutoxy)-2-(methylamino)butanoate
CID 106666689
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide (CID 106666791) is 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide is COC(C)(C)CCOCC(NC(C)C)C(N)=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide?
The InChIKey is ZHPDGNWIYMAPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)14-10(11(13)15)8-17-7-6-12(3,4)16-5/h9-10,14H,6-8H2,1-5H3,(H2,13,15).
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide?
3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 106666791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).