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

C19H23N3O3 — CID 46401265

IUPAC4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(C(=O)N(C)C)c2)c1C
InChIInChI=1S/C19H23N3O3/c1-11-16(13(3)23)12(2)21-17(11)18(24)20-10-14-7-6-8-15(9-14)19(25)22(4)5/h6-9,21H,10H2,1-5H3,(H,20,24)
InChIKeyRSGWVFXAWYHGES-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.47
Rot. Bonds5

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

4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 46401265) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID46401265
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(C(=O)N(C)C)c2)c1C
InChIInChI=1S/C19H23N3O3/c1-11-16(13(3)23)12(2)21-17(11)18(24)20-10-14-7-6-8-15(9-14)19(25)22(4)5/h6-9,21H,10H2,1-5H3,(H,20,24)
InChIKeyRSGWVFXAWYHGES-UHFFFAOYSA-N
XLogP2.47
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 60516256
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide
CID 91779909
4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 55893838
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
4-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 38993918

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 46401265) is 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(C(=O)N(C)C)c2)c1C.
What is the InChIKey of 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is RSGWVFXAWYHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-16(13(3)23)12(2)21-17(11)18(24)20-10-14-7-6-8-15(9-14)19(25)22(4)5/h6-9,21H,10H2,1-5H3,(H,20,24).
What are the key properties of 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46401265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).