1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide

C20H27N3O2 — CID 47086922

IUPAC1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CN(C)CCO2)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-15-11-19(16(2)23(15)13-17-7-5-4-6-8-17)20(24)21-12-18-14-22(3)9-10-25-18/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,21,24)
InChIKeyCXJMOTWQSOTBLC-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.21
Rot. Bonds5

About 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide (PubChem CID 47086922) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
PubChem CID47086922
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CN(C)CCO2)c(C)n1Cc1ccccc1
InChIInChI=1S/C20H27N3O2/c1-15-11-19(16(2)23(15)13-17-7-5-4-6-8-17)20(24)21-12-18-14-22(3)9-10-25-18/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,21,24)
InChIKeyCXJMOTWQSOTBLC-UHFFFAOYSA-N
XLogP2.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55715544
N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 49094694
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide (CID 47086922) is 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CN(C)CCO2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is CXJMOTWQSOTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-11-19(16(2)23(15)13-17-7-5-4-6-8-17)20(24)21-12-18-14-22(3)9-10-25-18/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,21,24).
What are the key properties of 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 47086922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).