3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide

C20H23N3O2 — CID 97407088

IUPAC3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2ccc(N(C)Cc3ccccc3)n2c1
InChIInChI=1S/C20H23N3O2/c1-22(14-16-6-4-3-5-7-16)19-11-10-18-9-8-17(15-23(18)19)20(24)21-12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyRWKPNIUDZJWUHP-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds7

About 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide

3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide (PubChem CID 97407088) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide
PubChem CID97407088
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2ccc(N(C)Cc3ccccc3)n2c1
InChIInChI=1S/C20H23N3O2/c1-22(14-16-6-4-3-5-7-16)19-11-10-18-9-8-17(15-23(18)19)20(24)21-12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyRWKPNIUDZJWUHP-UHFFFAOYSA-N
XLogP2.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-N-(2-pyridin-4-ylethyl)indolizine-6-carboxamide
CID 97441658
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
3-[2-methoxyethyl(methyl)amino]-N-[(5-methylfuran-2-yl)methyl]indolizine-6-carboxamide
CID 97441660
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153077
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97362437

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide (CID 97407088) is 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide is COCCNC(=O)c1ccc2ccc(N(C)Cc3ccccc3)n2c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide?
The InChIKey is RWKPNIUDZJWUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(14-16-6-4-3-5-7-16)19-11-10-18-9-8-17(15-23(18)19)20(24)21-12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide?
3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(2-methoxyethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97407088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).