N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide

C15H22N2O2 — CID 56813078

IUPACN-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)CC(N)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17(2)11-14(16)18/h6-9H,3-5,10-11H2,1-2H3,(H2,16,18)
InChIKeyKFLXSSNQSZSPIL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide

N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide (PubChem CID 56813078) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
PubChem CID56813078
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
SMILESCCCCc1ccc(CC(=O)N(C)CC(N)=O)cc1
InChIInChI=1S/C15H22N2O2/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17(2)11-14(16)18/h6-9H,3-5,10-11H2,1-2H3,(H2,16,18)
InChIKeyKFLXSSNQSZSPIL-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115673298
N-butan-2-yl-2-(4-butylphenyl)-N-methylacetamide
CID 78854085
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418
ethyl 2-[[2-(4-dodecoxyphenyl)acetyl]-methylamino]acetate
CID 14477214
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
propyl 2-(4-butylphenyl)acetate
CID 112724824
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
methyl 2-(4-butylphenyl)acetate
CID 10442975
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide (CID 56813078) is N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide is CCCCc1ccc(CC(=O)N(C)CC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide?
The InChIKey is KFLXSSNQSZSPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-5-12-6-8-13(9-7-12)10-15(19)17(2)11-14(16)18/h6-9H,3-5,10-11H2,1-2H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide is sourced from PubChem (CID 56813078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).