4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H23N3O4 — CID 55893838

IUPAC4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C19H23N3O4/c1-10-16(12(3)23)11(2)20-17(10)18(24)21-14-9-13(19(25)22(4)5)7-8-15(14)26-6/h7-9,20H,1-6H3,(H,21,24)
InChIKeyHWWDVAUVOZRKAY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.80
Rot. Bonds5

About 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 55893838) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID55893838
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C19H23N3O4/c1-10-16(12(3)23)11(2)20-17(10)18(24)21-14-9-13(19(25)22(4)5)7-8-15(14)26-6/h7-9,20H,1-6H3,(H,21,24)
InChIKeyHWWDVAUVOZRKAY-UHFFFAOYSA-N
XLogP2.80
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46401265
propan-2-yl 5-[(5-acetamido-2-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 36554284
methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 36553426
2-methoxyethyl 5-[(5-bromo-2-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55906428
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
4-acetyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40953604
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 119741837
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
4-acetyl-3,5-dimethyl-N-(2-phenoxyphenyl)-1H-pyrrole-2-carboxamide
CID 2126504
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500504
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 55893838) is 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is HWWDVAUVOZRKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-10-16(12(3)23)11(2)20-17(10)18(24)21-14-9-13(19(25)22(4)5)7-8-15(14)26-6/h7-9,20H,1-6H3,(H,21,24).
What are the key properties of 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55893838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).