(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

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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).