N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide

C15H21N3O2 — CID 110861482

IUPACN-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2CCN(C)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(19)16-13-3-5-14(6-4-13)17-15(20)9-12-7-8-18(2)10-12/h3-6,12H,7-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHPHXGWAUEIQDMS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.93
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide

N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 110861482) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID110861482
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2CCN(C)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(19)16-13-3-5-14(6-4-13)17-15(20)9-12-7-8-18(2)10-12/h3-6,12H,7-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHPHXGWAUEIQDMS-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859779
N-[6-(methylamino)-3-pyridinyl]-2-(1-methylpiperidin-3-yl)acetamide
CID 115274703
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
2-(1-methylpyrrolidin-3-yl)-N-prop-2-enylacetamide
CID 110848144
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide (CID 110861482) is N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide is CC(=O)Nc1ccc(NC(=O)CC2CCN(C)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is HPHXGWAUEIQDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)16-13-3-5-14(6-4-13)17-15(20)9-12-7-8-18(2)10-12/h3-6,12H,7-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110861482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).