N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide

C20H21N3O2 — CID 86590635

IUPACN-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(Nc2ccccc2NC(=O)c2cccn2C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-14-13-15(25-3)10-11-16(14)21-17-7-4-5-8-18(17)22-20(24)19-9-6-12-23(19)2/h4-13,21H,1-3H3,(H,22,24)
InChIKeyLZPGBXUPPODGFW-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide

N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 86590635) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID86590635
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(Nc2ccccc2NC(=O)c2cccn2C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-14-13-15(25-3)10-11-16(14)21-17-7-4-5-8-18(17)22-20(24)19-9-6-12-23(19)2/h4-13,21H,1-3H3,(H,22,24)
InChIKeyLZPGBXUPPODGFW-UHFFFAOYSA-N
XLogP4.34
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 3739273
N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876655
5-iodo-N-(4-methoxy-2-methylphenyl)thiophene-3-carboxamide
CID 78948835
methyl 4-iodo-3-[(1-methylpyrrole-2-carbonyl)amino]benzoate
CID 168957425
N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 104724216
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43601475
1-(4-methoxy-2-methylphenyl)-3-(2-methylphenyl)thiourea
CID 19678122
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide (CID 86590635) is N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide is COc1ccc(Nc2ccccc2NC(=O)c2cccn2C)c(C)c1.
What is the InChIKey of N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LZPGBXUPPODGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-13-15(25-3)10-11-16(14)21-17-7-4-5-8-18(17)22-20(24)19-9-6-12-23(19)2/h4-13,21H,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide?
N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 86590635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).