2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide

C18H28N2O2 — CID 113159086

IUPAC2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCCC(C)N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-6-15(4)20(16(5)21)13-18(22)19(14(2)3)12-17-10-8-7-9-11-17/h7-11,14-15H,6,12-13H2,1-5H3
InChIKeyNVXRCLTWWAYZOZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.07
Rot. Bonds7

About 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide

2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide (PubChem CID 113159086) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
PubChem CID113159086
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCCC(C)N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-6-15(4)20(16(5)21)13-18(22)19(14(2)3)12-17-10-8-7-9-11-17/h7-11,14-15H,6,12-13H2,1-5H3
InChIKeyNVXRCLTWWAYZOZ-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3668488
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide (CID 113159086) is 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide is CCC(C)N(CC(=O)N(Cc1ccccc1)C(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is NVXRCLTWWAYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-15(4)20(16(5)21)13-18(22)19(14(2)3)12-17-10-8-7-9-11-17/h7-11,14-15H,6,12-13H2,1-5H3.
What are the key properties of 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 304.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 113159086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).