3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide

C15H22N2O3 — CID 111483358

IUPAC3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C15H22N2O3/c1-4-15(20,5-2)10-17-14(19)12-8-6-7-11(9-12)13(18)16-3/h6-9,20H,4-5,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySSWYMQHLKKJUQU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds6

About 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide

3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 111483358) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID111483358
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C15H22N2O3/c1-4-15(20,5-2)10-17-14(19)12-8-6-7-11(9-12)13(18)16-3/h6-9,20H,4-5,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySSWYMQHLKKJUQU-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
3-ethyl-N-methylbenzamide
CID 59115297
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111483214

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide (CID 111483358) is 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide is CCC(O)(CC)CNC(=O)c1cccc(C(=O)NC)c1.
What is the InChIKey of 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is SSWYMQHLKKJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-15(20,5-2)10-17-14(19)12-8-6-7-11(9-12)13(18)16-3/h6-9,20H,4-5,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide?
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111483358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).