3-[(2-ethoxyacetyl)amino]-3-methylbutanamide

C9H18N2O3 — CID 104579494

IUPAC3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
SMILESCCOCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-14-6-8(13)11-9(2,3)5-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyRZIXGNNKKCAEBH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds6

About 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide

3-[(2-ethoxyacetyl)amino]-3-methylbutanamide (PubChem CID 104579494) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
PubChem CID104579494
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
SMILESCCOCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C9H18N2O3/c1-4-14-6-8(13)11-9(2,3)5-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyRZIXGNNKKCAEBH-UHFFFAOYSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylbutanamide
CID 104579509
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 114308041
N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
CID 61121561
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide (CID 104579494) is 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide is CCOCC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide?
The InChIKey is RZIXGNNKKCAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-6-8(13)11-9(2,3)5-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide?
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide has a molecular weight of 202.25 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 104579494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).