4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide

C20H24N2O3 — CID 95290843

IUPAC4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H24N2O3/c1-5-13-18(12(3)23)11(2)21-19(13)20(24)22-16-10-15(16)14-8-6-7-9-17(14)25-4/h6-9,15-16,21H,5,10H2,1-4H3,(H,22,24)/t15-,16+/m0/s1
InChIKeyPGSJPGQQTKKRKT-JKSUJKDBSA-N
MW340.42 g/mol
LogP3.38
Rot. Bonds6

About 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 95290843) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID95290843
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H24N2O3/c1-5-13-18(12(3)23)11(2)21-19(13)20(24)22-16-10-15(16)14-8-6-7-9-17(14)25-4/h6-9,15-16,21H,5,10H2,1-4H3,(H,22,24)/t15-,16+/m0/s1
InChIKeyPGSJPGQQTKKRKT-JKSUJKDBSA-N
XLogP3.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide (CID 95290843) is 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is PGSJPGQQTKKRKT-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-13-18(12(3)23)11(2)21-19(13)20(24)22-16-10-15(16)14-8-6-7-9-17(14)25-4/h6-9,15-16,21H,5,10H2,1-4H3,(H,22,24)/t15-,16+/m0/s1.
What are the key properties of 4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.38, 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-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95290843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).