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

C25H30N2O — CID 46862340

IUPACN-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C1CC1
InChIInChI=1S/C25H30N2O/c1-17-7-6-8-18(2)22(17)24(28)26-23(19-9-4-3-5-10-19)25-15-13-21(14-16-25)27(25)20-11-12-20/h3-10,20-21,23H,11-16H2,1-2H3,(H,26,28)
InChIKeyWFAOLWPJUBLNAA-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.93
Rot. Bonds5

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

N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide (PubChem CID 46862340) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
PubChem CID46862340
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C1CC1
InChIInChI=1S/C25H30N2O/c1-17-7-6-8-18(2)22(17)24(28)26-23(19-9-4-3-5-10-19)25-15-13-21(14-16-25)27(25)20-11-12-20/h3-10,20-21,23H,11-16H2,1-2H3,(H,26,28)
InChIKeyWFAOLWPJUBLNAA-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide
CID 67472530
2,6-dimethyl-N-[[7-(2-morpholin-4-ylethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]benzamide
CID 46862975
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-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
CID 67472963
N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
CID 11689547
2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 59347911
N-[[1-(dimethylamino)cyclopentyl]-(4-fluorophenyl)methyl]-2,6-dimethylbenzamide
CID 11646365

Frequently Asked Questions

What is the IUPAC name of N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide (CID 46862340) is N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C1CC1.
What is the InChIKey of N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The InChIKey is WFAOLWPJUBLNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-17-7-6-8-18(2)22(17)24(28)26-23(19-9-4-3-5-10-19)25-15-13-21(14-16-25)27(25)20-11-12-20/h3-10,20-21,23H,11-16H2,1-2H3,(H,26,28).
What are the key properties of N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide has a molecular weight of 374.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 46862340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).