9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C20H29N3O2 — CID 75423401

IUPAC9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NC(c1ccccc1)C1CCCO1)CC2
InChIInChI=1S/C20H29N3O2/c1-22-16-9-10-17(22)14-23(12-11-16)20(24)21-19(18-8-5-13-25-18)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3,(H,21,24)
InChIKeySQCSBUXGQOHZSY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.78
Rot. Bonds3

About 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 75423401) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID75423401
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NC(c1ccccc1)C1CCCO1)CC2
InChIInChI=1S/C20H29N3O2/c1-22-16-9-10-17(22)14-23(12-11-16)20(24)21-19(18-8-5-13-25-18)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3,(H,21,24)
InChIKeySQCSBUXGQOHZSY-UHFFFAOYSA-N
XLogP2.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 75423401) is 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1C2CCC1CN(C(=O)NC(c1ccccc1)C1CCCO1)CC2.
What is the InChIKey of 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is SQCSBUXGQOHZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22-16-9-10-17(22)14-23(12-11-16)20(24)21-19(18-8-5-13-25-18)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3,(H,21,24).
What are the key properties of 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[oxolan-2-yl(phenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 75423401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).