4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide

C15H22N2O2 — CID 17309176

IUPAC4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-5-11(6-2)14(18)16-13-9-7-12(8-10-13)15(19)17(3)4/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyWPPQKLALNHBTPT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.76
Rot. Bonds5

About 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide

4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide (PubChem CID 17309176) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
PubChem CID17309176
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-5-11(6-2)14(18)16-13-9-7-12(8-10-13)15(19)17(3)4/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyWPPQKLALNHBTPT-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
4-[2-(sulfanylmethyl)butanoylamino]benzoic acid
CID 88611493
N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-dimethylbenzamide
CID 104907166
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide (CID 17309176) is 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide is CCC(CC)C(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide?
The InChIKey is WPPQKLALNHBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-11(6-2)14(18)16-13-9-7-12(8-10-13)15(19)17(3)4/h7-11H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide?
4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 17309176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).