2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide

C18H25N3O3 — CID 15751470

IUPAC2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C
InChIInChI=1S/C18H25N3O3/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)20-17(22)15-8-3-4-9-16(15)24-2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H2,19,20,22,23)/t12?,13-,14+
InChIKeyUKMATDGDVREYGK-AGUYFDCRSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds3

About 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide

2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide (PubChem CID 15751470) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide
PubChem CID15751470
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C
InChIInChI=1S/C18H25N3O3/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)20-17(22)15-8-3-4-9-16(15)24-2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H2,19,20,22,23)/t12?,13-,14+
InChIKeyUKMATDGDVREYGK-AGUYFDCRSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-[9-[(2,4-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide
CID 155574259
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
2-fluoro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813977
4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide (CID 15751470) is 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide is COc1ccccc1C(=O)NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C.
What is the InChIKey of 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide?
The InChIKey is UKMATDGDVREYGK-AGUYFDCRSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)20-17(22)15-8-3-4-9-16(15)24-2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H2,19,20,22,23)/t12?,13-,14+.
What are the key properties of 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide?
2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide is sourced from PubChem (CID 15751470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).