4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide

C20H25N3O3 — CID 24544227

IUPAC4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C(C)=O)c[nH]2)N2CCCC2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(24)16-11-18(21-12-16)20(25)22-13-19(23-9-3-4-10-23)15-5-7-17(26-2)8-6-15/h5-8,11-12,19,21H,3-4,9-10,13H2,1-2H3,(H,22,25)
InChIKeyNTPGNHSWGHMGPT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.79
Rot. Bonds7

About 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 24544227) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
PubChem CID24544227
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C(C)=O)c[nH]2)N2CCCC2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(24)16-11-18(21-12-16)20(25)22-13-19(23-9-3-4-10-23)15-5-7-17(26-2)8-6-15/h5-8,11-12,19,21H,3-4,9-10,13H2,1-2H3,(H,22,25)
InChIKeyNTPGNHSWGHMGPT-UHFFFAOYSA-N
XLogP2.79
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylpyrrole-2-carboxamide
CID 94499009
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
5-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-indole-2-carboxamide
CID 39982579
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide (CID 24544227) is 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide is COc1ccc(C(CNC(=O)c2cc(C(C)=O)c[nH]2)N2CCCC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NTPGNHSWGHMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(24)16-11-18(21-12-16)20(25)22-13-19(23-9-3-4-10-23)15-5-7-17(26-2)8-6-15/h5-8,11-12,19,21H,3-4,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24544227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).