4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide

C19H22N2O3 — CID 97240530

IUPAC4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)n(C)c1
InChIInChI=1S/C19H22N2O3/c1-13(22)15-10-16(21(2)11-15)18(24)20-12-19(8-9-19)17(23)14-6-4-3-5-7-14/h3-7,10-11,17,23H,8-9,12H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyZVUFEPLQINTDSE-KRWDZBQOSA-N
MW326.40 g/mol
LogP2.47
Rot. Bonds6

About 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 97240530) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID97240530
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)n(C)c1
InChIInChI=1S/C19H22N2O3/c1-13(22)15-10-16(21(2)11-15)18(24)20-12-19(8-9-19)17(23)14-6-4-3-5-7-14/h3-7,10-11,17,23H,8-9,12H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyZVUFEPLQINTDSE-KRWDZBQOSA-N
XLogP2.47
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide (CID 97240530) is 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)n(C)c1.
What is the InChIKey of 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is ZVUFEPLQINTDSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(22)15-10-16(21(2)11-15)18(24)20-12-19(8-9-19)17(23)14-6-4-3-5-7-14/h3-7,10-11,17,23H,8-9,12H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 97240530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).