4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide

C22H31N3O2 — CID 71194687

IUPAC4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
SMILESCNC(=O)N(C)Cc1ccc(C(=O)NC2CCC3CC4CC(C3)C2C4)cc1
InChIInChI=1S/C22H31N3O2/c1-23-22(27)25(2)13-14-3-6-17(7-4-14)21(26)24-20-8-5-15-9-16-11-18(10-15)19(20)12-16/h3-4,6-7,15-16,18-20H,5,8-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyRNMVHHUNKKZISW-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.40
Rot. Bonds4

About 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide

4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide (PubChem CID 71194687) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide.

Molecular Properties

Compound Name4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
PubChem CID71194687
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
SMILESCNC(=O)N(C)Cc1ccc(C(=O)NC2CCC3CC4CC(C3)C2C4)cc1
InChIInChI=1S/C22H31N3O2/c1-23-22(27)25(2)13-14-3-6-17(7-4-14)21(26)24-20-8-5-15-9-16-11-18(10-15)19(20)12-16/h3-4,6-7,15-16,18-20H,5,8-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyRNMVHHUNKKZISW-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
CID 71194452
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-(2-adamantyl)-4-[[methyl-[methyl(pyrimidin-2-yl)carbamoyl]amino]methyl]benzamide
CID 16663057
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
CID 71163738
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 7326108
N-(2-bicyclo[2.2.1]heptanyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 2866146
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283519

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The IUPAC name of 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide (CID 71194687) is 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide.
What is the SMILES notation for 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The canonical SMILES for 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide is CNC(=O)N(C)Cc1ccc(C(=O)NC2CCC3CC4CC(C3)C2C4)cc1.
What is the InChIKey of 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The InChIKey is RNMVHHUNKKZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23-22(27)25(2)13-14-3-6-17(7-4-14)21(26)24-20-8-5-15-9-16-11-18(10-15)19(20)12-16/h3-4,6-7,15-16,18-20H,5,8-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide has a molecular weight of 369.51 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(methylcarbamoyl)amino]methyl]-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide is sourced from PubChem (CID 71194687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).