N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide

C22H31N3O3 — CID 143450980

IUPACN-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC1CC2CCC(C1)N2C(=O)c1ccc(CN(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H31N3O3/c1-16-13-19-7-8-20(14-16)25(19)21(26)18-5-3-17(4-6-18)15-23(2)22(27)24-9-11-28-12-10-24/h3-6,16,19-20H,7-15H2,1-2H3
InChIKeyCJUJCHGQOCVATM-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.97
Rot. Bonds3

About N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide

N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 143450980) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID143450980
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC1CC2CCC(C1)N2C(=O)c1ccc(CN(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H31N3O3/c1-16-13-19-7-8-20(14-16)25(19)21(26)18-5-3-17(4-6-18)15-23(2)22(27)24-9-11-28-12-10-24/h3-6,16,19-20H,7-15H2,1-2H3
InChIKeyCJUJCHGQOCVATM-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]morpholine-4-carboxamide
CID 115575680
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
4-[[(4-aminopiperidine-1-carbonyl)-methylamino]methyl]benzoic acid
CID 61402615
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]prop-2-enamide
CID 166406452
4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90590885
N-[[4-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119518835
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
4-[[3,6-dihydro-2H-pyridine-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 114411559
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide (CID 143450980) is N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide is CC1CC2CCC(C1)N2C(=O)c1ccc(CN(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is CJUJCHGQOCVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-13-19-7-8-20(14-16)25(19)21(26)18-5-3-17(4-6-18)15-23(2)22(27)24-9-11-28-12-10-24/h3-6,16,19-20H,7-15H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide?
N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(3-methyl-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 143450980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).