N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide

C15H18N2O3 — CID 110762676

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccn(C)c2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-17-7-6-12(10-17)15(18)16-9-11-4-5-13(19-2)14(8-11)20-3/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyRMMXTNXBYHFPAS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide (PubChem CID 110762676) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
PubChem CID110762676
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccn(C)c2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-17-7-6-12(10-17)15(18)16-9-11-4-5-13(19-2)14(8-11)20-3/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyRMMXTNXBYHFPAS-UHFFFAOYSA-N
XLogP1.97
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide
CID 1417661
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide (CID 110762676) is N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide is COc1ccc(CNC(=O)c2ccn(C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is RMMXTNXBYHFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-7-6-12(10-17)15(18)16-9-11-4-5-13(19-2)14(8-11)20-3/h4-8,10H,9H2,1-3H3,(H,16,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110762676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).