N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide

C24H30N2O2 — CID 67472530

IUPACN-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)N2CCO
InChIInChI=1S/C24H30N2O2/c1-17-7-6-8-18(2)21(17)23(28)25-22(19-9-4-3-5-10-19)24-13-11-20(12-14-24)26(24)15-16-27/h3-10,20,22,27H,11-16H2,1-2H3,(H,25,28)/t20?,22-,24?/m1/s1
InChIKeyDXUWICZYIDJHAW-DJSMFCCRSA-N
MW378.52 g/mol
LogP3.76
Rot. Bonds6

About N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide

N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide (PubChem CID 67472530) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide
PubChem CID67472530
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)N2CCO
InChIInChI=1S/C24H30N2O2/c1-17-7-6-8-18(2)21(17)23(28)25-22(19-9-4-3-5-10-19)24-13-11-20(12-14-24)26(24)15-16-27/h3-10,20,22,27H,11-16H2,1-2H3,(H,25,28)/t20?,22-,24?/m1/s1
InChIKeyDXUWICZYIDJHAW-DJSMFCCRSA-N
XLogP3.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide with MolForge

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Related Compounds

2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide
CID 46862975
N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
CID 46862340
N-[(R)-(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
CID 67472519
1-[(R)-[(2,6-dimethylbenzoyl)amino]-phenylmethyl]-7-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 141278623
N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide
CID 67472456
2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide
CID 91468251
4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
CID 46862974
N-[[1-[iodomethyl(methyl)amino]cyclopentyl]-phenylmethyl]-2,6-dimethylbenzamide
CID 89169823
N-[[7-(cyclobutylmethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]pyridine-4-carboxamide
CID 46862454
N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
CID 67472963
2,4-dichloro-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide
CID 46853258
1-(2,4-dimethyl-3-pyridinyl)-3-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-3-phenylpropan-1-one
CID 90998399

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide (CID 67472530) is N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)N2CCO.
What is the InChIKey of N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide?
The InChIKey is DXUWICZYIDJHAW-DJSMFCCRSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-7-6-8-18(2)21(17)23(28)25-22(19-9-4-3-5-10-19)24-13-11-20(12-14-24)26(24)15-16-27/h3-10,20,22,27H,11-16H2,1-2H3,(H,25,28)/t20?,22-,24?/m1/s1.
What are the key properties of N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide?
N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide has a molecular weight of 378.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 67472530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).