N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide

C22H31N3O5 — CID 155942520

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
SMILESCOc1ccc(CNC(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14-20(26)24(2)13-22(30-14)10-16-6-7-17(11-22)25(16)21(27)23-12-15-5-8-18(28-3)19(9-15)29-4/h5,8-9,14,16-17H,6-7,10-13H2,1-4H3,(H,23,27)
InChIKeyFBNMATQMFXRNHM-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.16
Rot. Bonds4

About N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide (PubChem CID 155942520) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
PubChem CID155942520
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
SMILESCOc1ccc(CNC(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14-20(26)24(2)13-22(30-14)10-16-6-7-17(11-22)25(16)21(27)23-12-15-5-8-18(28-3)19(9-15)29-4/h5,8-9,14,16-17H,6-7,10-13H2,1-4H3,(H,23,27)
InChIKeyFBNMATQMFXRNHM-UHFFFAOYSA-N
XLogP2.16
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90616129
N-[(4-chlorophenyl)methyl]-4'-methyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide
CID 155799489
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186209
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 70714919
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidine-1-carboxamide
CID 121155304
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide (CID 155942520) is N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide is COc1ccc(CNC(=O)N2C3CCC2CC2(C3)CN(C)C(=O)C(C)O2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
The InChIKey is FBNMATQMFXRNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14-20(26)24(2)13-22(30-14)10-16-6-7-17(11-22)25(16)21(27)23-12-15-5-8-18(28-3)19(9-15)29-4/h5,8-9,14,16-17H,6-7,10-13H2,1-4H3,(H,23,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4',6'-dimethyl-5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxamide is sourced from PubChem (CID 155942520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).