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

C14H20N2O2 — CID 113158122

IUPAC2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O2/c1-11(2)16(12(3)17)10-14(18)15-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,18)
InChIKeyILESKHIVVNBVNT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds5

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

2-[acetyl(propan-2-yl)amino]-N-benzylacetamide (PubChem CID 113158122) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
PubChem CID113158122
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O2/c1-11(2)16(12(3)17)10-14(18)15-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,18)
InChIKeyILESKHIVVNBVNT-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113161978
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
2-[acetyl(ethoxy)amino]-N-benzylacetamide
CID 19029213
3-[[2-(benzylamino)-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82326877
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
(3R)-3-acetamido-N-benzyl-3-hydroxypropanamide
CID 171785861

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide (CID 113158122) is 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide is CC(=O)N(CC(=O)NCc1ccccc1)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide?
The InChIKey is ILESKHIVVNBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)16(12(3)17)10-14(18)15-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide?
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-N-benzylacetamide is sourced from PubChem (CID 113158122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).