N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide

C23H26N2O3 — CID 66883253

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(-c3ccc(C)cc3)c(C)cn2C)c1OC
InChIInChI=1S/C23H26N2O3/c1-15-9-11-17(12-10-15)20-16(2)14-25(3)21(20)23(26)24-13-18-7-6-8-19(27-4)22(18)28-5/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyGIBSSEJBDUDKTH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.26
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide (PubChem CID 66883253) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide
PubChem CID66883253
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(-c3ccc(C)cc3)c(C)cn2C)c1OC
InChIInChI=1S/C23H26N2O3/c1-15-9-11-17(12-10-15)20-16(2)14-25(3)21(20)23(26)24-13-18-7-6-8-19(27-4)22(18)28-5/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyGIBSSEJBDUDKTH-UHFFFAOYSA-N
XLogP4.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide
CID 1495599
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide
CID 66602753

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide (CID 66883253) is N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide is COc1cccc(CNC(=O)c2c(-c3ccc(C)cc3)c(C)cn2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is GIBSSEJBDUDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-9-11-17(12-10-15)20-16(2)14-25(3)21(20)23(26)24-13-18-7-6-8-19(27-4)22(18)28-5/h6-12,14H,13H2,1-5H3,(H,24,26).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 66883253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).