N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide

C17H26N2O2 — CID 115972146

IUPACN,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)16(21)12-8-7-9-13(10-12)18-14-11-15(20)17(14,3)4/h7-10,14-15,18,20H,5-6,11H2,1-4H3
InChIKeyMQWBVEHJQDNTEH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds5

About N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide

N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide (PubChem CID 115972146) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
PubChem CID115972146
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)16(21)12-8-7-9-13(10-12)18-14-11-15(20)17(14,3)4/h7-10,14-15,18,20H,5-6,11H2,1-4H3
InChIKeyMQWBVEHJQDNTEH-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
CID 61309718
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
2,2-dimethyl-3-[3-(2H-tetrazol-5-yl)anilino]cyclobutan-1-ol
CID 112633643
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
The IUPAC name of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide (CID 115972146) is N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide is CCN(CC)C(=O)c1cccc(NC2CC(O)C2(C)C)c1.
What is the InChIKey of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
The InChIKey is MQWBVEHJQDNTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-19(6-2)16(21)12-8-7-9-13(10-12)18-14-11-15(20)17(14,3)4/h7-10,14-15,18,20H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide?
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide is sourced from PubChem (CID 115972146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).