N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide

C14H16N2O2 — CID 110762648

IUPACN-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccn(C)c1
InChIInChI=1S/C14H16N2O2/c1-16-8-7-12(10-16)14(17)15-9-11-5-3-4-6-13(11)18-2/h3-8,10H,9H2,1-2H3,(H,15,17)
InChIKeyFSDVQDOWMBUAQU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.96
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide (PubChem CID 110762648) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
PubChem CID110762648
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccn(C)c1
InChIInChI=1S/C14H16N2O2/c1-16-8-7-12(10-16)14(17)15-9-11-5-3-4-6-13(11)18-2/h3-8,10H,9H2,1-2H3,(H,15,17)
InChIKeyFSDVQDOWMBUAQU-UHFFFAOYSA-N
XLogP1.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
5-iodo-N-[(2-methoxyphenyl)methyl]thiophene-3-carboxamide
CID 78948585
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide (CID 110762648) is N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide is COc1ccccc1CNC(=O)c1ccn(C)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is FSDVQDOWMBUAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-8-7-12(10-16)14(17)15-9-11-5-3-4-6-13(11)18-2/h3-8,10H,9H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110762648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).