3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide

C22H33N3O2 — CID 91840395

IUPAC3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C22H33N3O2/c1-16-3-8-21(27-2)20(11-16)23-22(26)9-10-24-12-18-6-7-19(15-24)25(14-18)13-17-4-5-17/h3,8,11,17-19H,4-7,9-10,12-15H2,1-2H3,(H,23,26)/t18-,19+/m0/s1
InChIKeyIUQMHCDSEVCWCI-RBUKOAKNSA-N
MW371.52 g/mol
LogP3.14
Rot. Bonds7

About 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide

3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 91840395) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID91840395
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2
InChIInChI=1S/C22H33N3O2/c1-16-3-8-21(27-2)20(11-16)23-22(26)9-10-24-12-18-6-7-19(15-24)25(14-18)13-17-4-5-17/h3,8,11,17-19H,4-7,9-10,12-15H2,1-2H3,(H,23,26)/t18-,19+/m0/s1
InChIKeyIUQMHCDSEVCWCI-RBUKOAKNSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
3-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 124847400
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684932
5-[[(1S,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-2-methoxybenzoic acid
CID 70752373
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-(1-cyclopropylpiperidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754837
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 91840395) is 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2.
What is the InChIKey of 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is IUQMHCDSEVCWCI-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-3-8-21(27-2)20(11-16)23-22(26)9-10-24-12-18-6-7-19(15-24)25(14-18)13-17-4-5-17/h3,8,11,17-19H,4-7,9-10,12-15H2,1-2H3,(H,23,26)/t18-,19+/m0/s1.
What are the key properties of 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 371.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 91840395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).