3-amino-N-methoxy-2,2,3-trimethylbutanamide

C8H18N2O2 — CID 65267021

IUPAC3-amino-N-methoxy-2,2,3-trimethylbutanamide
SMILESCONC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C8H18N2O2/c1-7(2,8(3,4)9)6(11)10-12-5/h9H2,1-5H3,(H,10,11)
InChIKeyWQPFUCRYLBWVDD-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.43
Rot. Bonds3

About 3-amino-N-methoxy-2,2,3-trimethylbutanamide

3-amino-N-methoxy-2,2,3-trimethylbutanamide (PubChem CID 65267021) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-N-methoxy-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-methoxy-2,2,3-trimethylbutanamide
PubChem CID65267021
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-N-methoxy-2,2,3-trimethylbutanamide
SMILESCONC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C8H18N2O2/c1-7(2,8(3,4)9)6(11)10-12-5/h9H2,1-5H3,(H,10,11)
InChIKeyWQPFUCRYLBWVDD-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
CID 65264360
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylbutanamide
CID 65269732
3-chloro-N-methoxy-2,2-dimethylpropanamide
CID 55298436
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
CID 65267164
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methoxy-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-methoxy-2,2,3-trimethylbutanamide (CID 65267021) is 3-amino-N-methoxy-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-methoxy-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-methoxy-2,2,3-trimethylbutanamide is CONC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-methoxy-2,2,3-trimethylbutanamide?
The InChIKey is WQPFUCRYLBWVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2,8(3,4)9)6(11)10-12-5/h9H2,1-5H3,(H,10,11).
What are the key properties of 3-amino-N-methoxy-2,2,3-trimethylbutanamide?
3-amino-N-methoxy-2,2,3-trimethylbutanamide has a molecular weight of 174.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methoxy-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65267021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).