(2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

C22H27N3O — CID 131655507

IUPAC(2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESCc1ccccc1NC(=O)N1C2CCC1[C@H](N(C)Cc1ccccc1)C2
InChIInChI=1S/C22H27N3O/c1-16-8-6-7-11-19(16)23-22(26)25-18-12-13-20(25)21(14-18)24(2)15-17-9-4-3-5-10-17/h3-11,18,20-21H,12-15H2,1-2H3,(H,23,26)/t18?,20?,21-/m1/s1
InChIKeyUNLKIEIUMIHLNC-DQVLVPHSSA-N
MW349.48 g/mol
LogP4.26
Rot. Bonds4

About (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

(2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (PubChem CID 131655507) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.

Molecular Properties

Compound Name(2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
PubChem CID131655507
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESCc1ccccc1NC(=O)N1C2CCC1[C@H](N(C)Cc1ccccc1)C2
InChIInChI=1S/C22H27N3O/c1-16-8-6-7-11-19(16)23-22(26)25-18-12-13-20(25)21(14-18)24(2)15-17-9-4-3-5-10-17/h3-11,18,20-21H,12-15H2,1-2H3,(H,23,26)/t18?,20?,21-/m1/s1
InChIKeyUNLKIEIUMIHLNC-DQVLVPHSSA-N
XLogP4.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide with MolForge

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Related Compounds

[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone
CID 131646929
[(2S,3R)-3-[benzyl(methyl)amino]-2-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-methylborinic acid
CID 167368996
(1S,2R,4S)-7-[benzyl(methyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 129379681
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)urea
CID 98109906
(1S,5S)-3-(cyclopropanecarbonylamino)-N-(2-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7229967
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 19133723
1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380293
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The IUPAC name of (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (CID 131655507) is (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.
What is the SMILES notation for (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The canonical SMILES for (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is Cc1ccccc1NC(=O)N1C2CCC1[C@H](N(C)Cc1ccccc1)C2.
What is the InChIKey of (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The InChIKey is UNLKIEIUMIHLNC-DQVLVPHSSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-8-6-7-11-19(16)23-22(26)25-18-12-13-20(25)21(14-18)24(2)15-17-9-4-3-5-10-17/h3-11,18,20-21H,12-15H2,1-2H3,(H,23,26)/t18?,20?,21-/m1/s1.
What are the key properties of (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
(2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(methyl)amino]-N-(2-methylphenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is sourced from PubChem (CID 131655507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).