3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide

C17H26N2O2 — CID 56813745

IUPAC3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
SMILESCCCCc1ccc(CC(=O)NCC(C)(C)C(N)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-13-7-9-14(10-8-13)11-15(20)19-12-17(2,3)16(18)21/h7-10H,4-6,11-12H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyRJPQSANDGBIMEY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds8

About 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide

3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide (PubChem CID 56813745) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
PubChem CID56813745
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
SMILESCCCCc1ccc(CC(=O)NCC(C)(C)C(N)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-4-5-6-13-7-9-14(10-8-13)11-15(20)19-12-17(2,3)16(18)21/h7-10H,4-6,11-12H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyRJPQSANDGBIMEY-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712966
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide (CID 56813745) is 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide is CCCCc1ccc(CC(=O)NCC(C)(C)C(N)=O)cc1.
What is the InChIKey of 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
The InChIKey is RJPQSANDGBIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-6-13-7-9-14(10-8-13)11-15(20)19-12-17(2,3)16(18)21/h7-10H,4-6,11-12H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide?
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 56813745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).