N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide

C24H30N2O3 — CID 45144897

IUPACN-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
SMILESCOc1ccc(CN2C3CCC2CC(NC(=O)c2cccc(C)c2)C3)c(OC)c1
InChIInChI=1S/C24H30N2O3/c1-16-5-4-6-17(11-16)24(27)25-19-12-20-8-9-21(13-19)26(20)15-18-7-10-22(28-2)14-23(18)29-3/h4-7,10-11,14,19-21H,8-9,12-13,15H2,1-3H3,(H,25,27)
InChIKeyDKECQZFFVWOKPV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.94
Rot. Bonds6

About N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide

N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide (PubChem CID 45144897) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
PubChem CID45144897
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
SMILESCOc1ccc(CN2C3CCC2CC(NC(=O)c2cccc(C)c2)C3)c(OC)c1
InChIInChI=1S/C24H30N2O3/c1-16-5-4-6-17(11-16)24(27)25-19-12-20-8-9-21(13-19)26(20)15-18-7-10-22(28-2)14-23(18)29-3/h4-7,10-11,14,19-21H,8-9,12-13,15H2,1-3H3,(H,25,27)
InChIKeyDKECQZFFVWOKPV-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 98185698
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-1-carboxamide
CID 45144915
3-chloro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218228
3-chloro-N-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467226
3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467036
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469
3-methyl-N-[(1S,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461212
N-[(2,4-dimethoxyphenyl)methyl]-6-[3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 25269881
N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
CID 162657511
N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461660
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032

Frequently Asked Questions

What is the IUPAC name of N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide?
The IUPAC name of N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide (CID 45144897) is N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide is COc1ccc(CN2C3CCC2CC(NC(=O)c2cccc(C)c2)C3)c(OC)c1.
What is the InChIKey of N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide?
The InChIKey is DKECQZFFVWOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-5-4-6-17(11-16)24(27)25-19-12-20-8-9-21(13-19)26(20)15-18-7-10-22(28-2)14-23(18)29-3/h4-7,10-11,14,19-21H,8-9,12-13,15H2,1-3H3,(H,25,27).
What are the key properties of N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide?
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide is sourced from PubChem (CID 45144897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).