3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C20H27N3O2 — CID 3218251

IUPAC3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1cccc(NC(=O)N2C3CCCC2CC(NC(=O)C2CC2)C3)c1
InChIInChI=1S/C20H27N3O2/c1-13-4-2-5-15(10-13)22-20(25)23-17-6-3-7-18(23)12-16(11-17)21-19(24)14-8-9-14/h2,4-5,10,14,16-18H,3,6-9,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyLWJQUZAEPVVWLU-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.44
Rot. Bonds3

About 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 3218251) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID3218251
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1cccc(NC(=O)N2C3CCCC2CC(NC(=O)C2CC2)C3)c1
InChIInChI=1S/C20H27N3O2/c1-13-4-2-5-15(10-13)22-20(25)23-17-6-3-7-18(23)12-16(11-17)21-19(24)14-8-9-14/h2,4-5,10,14,16-18H,3,6-9,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyLWJQUZAEPVVWLU-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 3218251) is 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is Cc1cccc(NC(=O)N2C3CCCC2CC(NC(=O)C2CC2)C3)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is LWJQUZAEPVVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-4-2-5-15(10-13)22-20(25)23-17-6-3-7-18(23)12-16(11-17)21-19(24)14-8-9-14/h2,4-5,10,14,16-18H,3,6-9,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 3218251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).