3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide

C9H20N2O3 — CID 64679830

IUPAC3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide
SMILESCOC(CNC(=O)CC(C)(C)N)OC
InChIInChI=1S/C9H20N2O3/c1-9(2,10)5-7(12)11-6-8(13-3)14-4/h8H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyFMJPAFAKMGWEOO-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.15
Rot. Bonds6

About 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide

3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide (PubChem CID 64679830) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide
PubChem CID64679830
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide
SMILESCOC(CNC(=O)CC(C)(C)N)OC
InChIInChI=1S/C9H20N2O3/c1-9(2,10)5-7(12)11-6-8(13-3)14-4/h8H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyFMJPAFAKMGWEOO-UHFFFAOYSA-N
XLogP-0.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3-amino-3-methylbutanoyl)amino]-2-hydroxypropanoate
CID 107222707
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461
N-(2,2-dimethoxyethyl)-2-methoxy-2-methylpropanamide
CID 103020556
2-amino-2-cyclopropyl-N-(2,2-dimethoxyethyl)propanamide
CID 61274918
2,2-dimethoxyethylcarbamic acid
CID 18938836
1-(2,2-dimethoxyethyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911482
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724126
methyl 2-bromo-3-(3,3-dimethylbutanoylamino)propanoate
CID 103492399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide (CID 64679830) is 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide is COC(CNC(=O)CC(C)(C)N)OC.
What is the InChIKey of 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide?
The InChIKey is FMJPAFAKMGWEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,10)5-7(12)11-6-8(13-3)14-4/h8H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide?
3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide has a molecular weight of 204.27 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 64679830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).