4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

C20H25N3O3 — CID 55834945

IUPAC4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H25N3O3/c1-6-16-18(14(4)24)13(3)21-19(16)20(26)23(5)11-17(25)22-15-9-7-12(2)8-10-15/h7-10,21H,6,11H2,1-5H3,(H,22,25)
InChIKeyPBUBAEYOJVUTRM-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.11
Rot. Bonds6

About 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 55834945) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID55834945
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H25N3O3/c1-6-16-18(14(4)24)13(3)21-19(16)20(26)23(5)11-17(25)22-15-9-7-12(2)8-10-15/h7-10,21H,6,11H2,1-5H3,(H,22,25)
InChIKeyPBUBAEYOJVUTRM-UHFFFAOYSA-N
XLogP3.11
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 47266692
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 38005582
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
4-ethyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-propylthiophene-2-carboxamide
CID 9374448
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
N-[2-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 132969433
4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60511680

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 55834945) is 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is CCc1c(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PBUBAEYOJVUTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-6-16-18(14(4)24)13(3)21-19(16)20(26)23(5)11-17(25)22-15-9-7-12(2)8-10-15/h7-10,21H,6,11H2,1-5H3,(H,22,25).
What are the key properties of 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55834945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).