2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide

C12H22N2O2 — CID 113166451

IUPAC2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)NC1CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)6-7-14(10(3)15)8-12(16)13-11-4-5-11/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyPXWJIFVUXJRJBP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds6

About 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide

2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide (PubChem CID 113166451) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
PubChem CID113166451
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide
SMILESCC(=O)N(CCC(C)C)CC(=O)NC1CC1
InChIInChI=1S/C12H22N2O2/c1-9(2)6-7-14(10(3)15)8-12(16)13-11-4-5-11/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyPXWJIFVUXJRJBP-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
2-[acetyl(butyl)amino]-N-cyclopropylacetamide
CID 113158611
2-[acetyl(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 113159800
3-[acetyl(2-methylpropyl)amino]-N-cyclohexylpropanamide
CID 113115917
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
CID 113160065
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]acetamide
CID 43067880
2-[acetyl(tert-butyl)amino]-N-cyclopropylacetamide
CID 113166055
2-[acetyl(3-methylbutyl)amino]-N-(4-methylphenyl)acetamide
CID 113166544
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide (CID 113166451) is 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide is CC(=O)N(CCC(C)C)CC(=O)NC1CC1.
What is the InChIKey of 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide?
The InChIKey is PXWJIFVUXJRJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)6-7-14(10(3)15)8-12(16)13-11-4-5-11/h9,11H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide?
2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methylbutyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 113166451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).