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

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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).