3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide

C20H30N2O2 — CID 118304260

IUPAC3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide
SMILESCC(C)(C)CNC1CC1c1cccc(C(=O)NC2CCOCC2)c1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)13-21-18-12-17(18)14-5-4-6-15(11-14)19(23)22-16-7-9-24-10-8-16/h4-6,11,16-18,21H,7-10,12-13H2,1-3H3,(H,22,23)
InChIKeyCRIGYLLEELIGAB-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.09
Rot. Bonds5

About 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide

3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide (PubChem CID 118304260) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide
PubChem CID118304260
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide
SMILESCC(C)(C)CNC1CC1c1cccc(C(=O)NC2CCOCC2)c1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)13-21-18-12-17(18)14-5-4-6-15(11-14)19(23)22-16-7-9-24-10-8-16/h4-6,11,16-18,21H,7-10,12-13H2,1-3H3,(H,22,23)
InChIKeyCRIGYLLEELIGAB-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
Sdccggsk-0000288.P001
CID 44578255
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
3,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 912566
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2200216
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2201629
1-N,3-N-bis(3-methylbutyl)benzene-1,3-dicarboxamide
CID 897414
N3-cyclopropyl-N4'-(cyclopropylmethyl)-5,6-dimethyl-1,1'-biphenyl-3,4'-dicarboxamide
CID 44479930
N3-cyclopropyl-5-fluoro-N4'-(2-methoxyethyl)-6-methyl-[1,1'-biphenyl]-3,4'-dicarboxamide
CID 44479934
6-Methyl-biphenyl-3,4''-dicarboxylic acid 3-cyclopropylamide 4''-[(3-hydroxy-propyl)-amide]
CID 44578533
N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
CID 44578534
6-Methyl-biphenyl-3,4''-dicarboxylic acid 4''-cyclopropylmethyl-amide 3-ethylamide
CID 44578843

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide (CID 118304260) is 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide is CC(C)(C)CNC1CC1c1cccc(C(=O)NC2CCOCC2)c1.
What is the InChIKey of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide?
The InChIKey is CRIGYLLEELIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)13-21-18-12-17(18)14-5-4-6-15(11-14)19(23)22-16-7-9-24-10-8-16/h4-6,11,16-18,21H,7-10,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide?
3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropylamino)cyclopropyl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 118304260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).