1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C22H28N2O3 — CID 123653838

IUPAC1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCOCCn1c2c(cc(C(=O)N(C)c3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C22H28N2O3/c1-23(18-11-7-5-8-12-18)21(25)19-16-17-10-6-3-4-9-13-20(17)24(22(19)26)14-15-27-2/h5,7-8,11-12,16H,3-4,6,9-10,13-15H2,1-2H3
InChIKeySAJKUYWNFBUBBK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.43
Rot. Bonds5

About 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 123653838) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID123653838
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCOCCn1c2c(cc(C(=O)N(C)c3ccccc3)c1=O)CCCCCC2
InChIInChI=1S/C22H28N2O3/c1-23(18-11-7-5-8-12-18)21(25)19-16-17-10-6-3-4-9-13-20(17)24(22(19)26)14-15-27-2/h5,7-8,11-12,16H,3-4,6,9-10,13-15H2,1-2H3
InChIKeySAJKUYWNFBUBBK-UHFFFAOYSA-N
XLogP3.43
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 123653838) is 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is COCCn1c2c(cc(C(=O)N(C)c3ccccc3)c1=O)CCCCCC2.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is SAJKUYWNFBUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(18-11-7-5-8-12-18)21(25)19-16-17-10-6-3-4-9-13-20(17)24(22(19)26)14-15-27-2/h5,7-8,11-12,16H,3-4,6,9-10,13-15H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 123653838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).