N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide

C21H32N2O3 — CID 654699

IUPACN-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
SMILESCCCCN1C2CCCC1CC(NC(=O)c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C21H32N2O3/c1-4-5-11-23-17-7-6-8-18(23)14-16(13-17)22-21(24)15-9-10-19(25-2)20(12-15)26-3/h9-10,12,16-18H,4-8,11,13-14H2,1-3H3,(H,22,24)
InChIKeyMBUKBAGZJPOJON-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.62
Rot. Bonds7

About N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide

N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide (PubChem CID 654699) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
PubChem CID654699
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
SMILESCCCCN1C2CCCC1CC(NC(=O)c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C21H32N2O3/c1-4-5-11-23-17-7-6-8-18(23)14-16(13-17)22-21(24)15-9-10-19(25-2)20(12-15)26-3/h9-10,12,16-18H,4-8,11,13-14H2,1-3H3,(H,22,24)
InChIKeyMBUKBAGZJPOJON-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
4-ethoxy-N-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461516
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
CID 95157803

Frequently Asked Questions

What is the IUPAC name of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide (CID 654699) is N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide is CCCCN1C2CCCC1CC(NC(=O)c1ccc(OC)c(OC)c1)C2.
What is the InChIKey of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide?
The InChIKey is MBUKBAGZJPOJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-5-11-23-17-7-6-8-18(23)14-16(13-17)22-21(24)15-9-10-19(25-2)20(12-15)26-3/h9-10,12,16-18H,4-8,11,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide?
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide has a molecular weight of 360.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 654699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).