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

C24H30N2O — CID 46862341

IUPACN-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
SMILESCCN1C2CCC1(C(NC(=O)c1c(C)cccc1C)c1ccccc1)CC2
InChIInChI=1S/C24H30N2O/c1-4-26-20-13-15-24(26,16-14-20)22(19-11-6-5-7-12-19)25-23(27)21-17(2)9-8-10-18(21)3/h5-12,20,22H,4,13-16H2,1-3H3,(H,25,27)
InChIKeyIVALQCXBILWALL-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.79
Rot. Bonds5

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

N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide (PubChem CID 46862341) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
PubChem CID46862341
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
SMILESCCN1C2CCC1(C(NC(=O)c1c(C)cccc1C)c1ccccc1)CC2
InChIInChI=1S/C24H30N2O/c1-4-26-20-13-15-24(26,16-14-20)22(19-11-6-5-7-12-19)25-23(27)21-17(2)9-8-10-18(21)3/h5-12,20,22H,4,13-16H2,1-3H3,(H,25,27)
InChIKeyIVALQCXBILWALL-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
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CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
Teijin-lead_cmp_5
CID 44353447
N-ethyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216680
N-methyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216683
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 25218401
2,6-dimethyl-N-[phenyl-(7-propan-2-yl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]benzamide
CID 46862555
2,6-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
CID 57557335
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
2-Methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide
CID 44235434
[3H]Gsk931145
CID 73755091

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide (CID 46862341) is N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide is CCN1C2CCC1(C(NC(=O)c1c(C)cccc1C)c1ccccc1)CC2.
What is the InChIKey of N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The InChIKey is IVALQCXBILWALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-4-26-20-13-15-24(26,16-14-20)22(19-11-6-5-7-12-19)25-23(27)21-17(2)9-8-10-18(21)3/h5-12,20,22H,4,13-16H2,1-3H3,(H,25,27).
What are the key properties of N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide has a molecular weight of 362.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 46862341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).