2-[acetyl(butan-2-yl)amino]-N-benzylacetamide

C15H22N2O2 — CID 113159031

IUPAC2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
SMILESCCC(C)N(CC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O2/c1-4-12(2)17(13(3)18)11-15(19)16-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,16,19)
InChIKeyKXBYSNKMBUVZGO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds6

About 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide

2-[acetyl(butan-2-yl)amino]-N-benzylacetamide (PubChem CID 113159031) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
PubChem CID113159031
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
SMILESCCC(C)N(CC(=O)NCc1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O2/c1-4-12(2)17(13(3)18)11-15(19)16-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,16,19)
InChIKeyKXBYSNKMBUVZGO-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122
2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113161978
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[acetyl(ethoxy)amino]-N-benzylacetamide
CID 19029213
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
3-[[2-(benzylamino)-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82326877
3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 113116142
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide?
The IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide (CID 113159031) is 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide.
What is the SMILES notation for 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide?
The canonical SMILES for 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide is CCC(C)N(CC(=O)NCc1ccccc1)C(C)=O.
What is the InChIKey of 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide?
The InChIKey is KXBYSNKMBUVZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-12(2)17(13(3)18)11-15(19)16-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide?
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butan-2-yl)amino]-N-benzylacetamide is sourced from PubChem (CID 113159031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).