4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide

C20H25N3O3 — CID 60516256

IUPAC4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1
InChIInChI=1S/C20H25N3O3/c1-5-16-17(13(4)24)12(3)23-18(16)20(26)22-11-14-8-7-9-15(10-14)19(25)21-6-2/h7-10,23H,5-6,11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyRKJGXPOUMNCQAR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds7

About 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 60516256) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID60516256
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1
InChIInChI=1S/C20H25N3O3/c1-5-16-17(13(4)24)12(3)23-18(16)20(26)22-11-14-8-7-9-15(10-14)19(25)21-6-2/h7-10,23H,5-6,11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyRKJGXPOUMNCQAR-UHFFFAOYSA-N
XLogP2.77
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46401265
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 60511170
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569
3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254874
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide (CID 60516256) is 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1.
What is the InChIKey of 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is RKJGXPOUMNCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-16-17(13(4)24)12(3)23-18(16)20(26)22-11-14-8-7-9-15(10-14)19(25)21-6-2/h7-10,23H,5-6,11H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60516256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).