3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide

C17H24N2O3 — CID 119137843

IUPAC3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCOC1CC(N(C)C(=O)c2cccc(C(N)=O)c2)C1(C)C
InChIInChI=1S/C17H24N2O3/c1-5-22-14-10-13(17(14,2)3)19(4)16(21)12-8-6-7-11(9-12)15(18)20/h6-9,13-14H,5,10H2,1-4H3,(H2,18,20)
InChIKeyCTPHRZFRGNYJOT-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.06
Rot. Bonds5

About 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 119137843) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID119137843
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCOC1CC(N(C)C(=O)c2cccc(C(N)=O)c2)C1(C)C
InChIInChI=1S/C17H24N2O3/c1-5-22-14-10-13(17(14,2)3)19(4)16(21)12-8-6-7-11(9-12)15(18)20/h6-9,13-14H,5,10H2,1-4H3,(H2,18,20)
InChIKeyCTPHRZFRGNYJOT-UHFFFAOYSA-N
XLogP2.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbenzamide
CID 119137838
2-[3-[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187218
5-[[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683947
5-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683245
N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 99706432
4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
CID 119344435
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
CID 124683871
N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 99697666
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 99811003
3-chloro-2-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-N-methylpyridine-2,5-dicarboxamide
CID 97100622

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide (CID 119137843) is 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide is CCOC1CC(N(C)C(=O)c2cccc(C(N)=O)c2)C1(C)C.
What is the InChIKey of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is CTPHRZFRGNYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-22-14-10-13(17(14,2)3)19(4)16(21)12-8-6-7-11(9-12)15(18)20/h6-9,13-14H,5,10H2,1-4H3,(H2,18,20).
What are the key properties of 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).