3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide

C15H32N2O3 — CID 176679314

IUPAC3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCC(C)OCCNC(=O)CC(C)(C)OCC(C)(C)CN
InChIInChI=1S/C15H32N2O3/c1-12(2)19-8-7-17-13(18)9-15(5,6)20-11-14(3,4)10-16/h12H,7-11,16H2,1-6H3,(H,17,18)
InChIKeyVNDODIIPAUHCLR-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.70
Rot. Bonds10

About 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide

3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 176679314) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID176679314
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCC(C)OCCNC(=O)CC(C)(C)OCC(C)(C)CN
InChIInChI=1S/C15H32N2O3/c1-12(2)19-8-7-17-13(18)9-15(5,6)20-11-14(3,4)10-16/h12H,7-11,16H2,1-6H3,(H,17,18)
InChIKeyVNDODIIPAUHCLR-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759067
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2,2-diethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759072
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
2-propan-2-yloxyethylurea
CID 22179539
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 79661979
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
molecular hydrogen;4-oxo-N-(2-propan-2-yloxyethyl)hexanamide
CID 167491249
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide (CID 176679314) is 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide is CC(C)OCCNC(=O)CC(C)(C)OCC(C)(C)CN.
What is the InChIKey of 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is VNDODIIPAUHCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-12(2)19-8-7-17-13(18)9-15(5,6)20-11-14(3,4)10-16/h12H,7-11,16H2,1-6H3,(H,17,18).
What are the key properties of 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide?
3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 288.43 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-dimethylpropoxy)-3-methyl-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 176679314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).