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

C21H26N2O2 — CID 86956197

IUPAC4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC(c2ccccc2)C2CC2C)[nH]c(C)c1C(C)=O
InChIInChI=1S/C21H26N2O2/c1-5-16-18(14(4)24)13(3)22-20(16)21(25)23-19(17-11-12(17)2)15-9-7-6-8-10-15/h6-10,12,17,19,22H,5,11H2,1-4H3,(H,23,25)
InChIKeyJNVCZCYZOYKDSV-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.22
Rot. Bonds6

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

4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide (PubChem CID 86956197) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide
PubChem CID86956197
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC(c2ccccc2)C2CC2C)[nH]c(C)c1C(C)=O
InChIInChI=1S/C21H26N2O2/c1-5-16-18(14(4)24)13(3)22-20(16)21(25)23-19(17-11-12(17)2)15-9-7-6-8-10-15/h6-10,12,17,19,22H,5,11H2,1-4H3,(H,23,25)
InChIKeyJNVCZCYZOYKDSV-UHFFFAOYSA-N
XLogP4.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide (CID 86956197) is 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC(c2ccccc2)C2CC2C)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JNVCZCYZOYKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-16-18(14(4)24)13(3)22-20(16)21(25)23-19(17-11-12(17)2)15-9-7-6-8-10-15/h6-10,12,17,19,22H,5,11H2,1-4H3,(H,23,25).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86956197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).