N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide

C20H23N3O4 — CID 72897658

IUPACN-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc([C@@H]2CN(C(=O)C(=O)c3cccn3C)C[C@H]2NC(C)=O)cc1
InChIInChI=1S/C20H23N3O4/c1-13(24)21-17-12-23(20(26)19(25)18-5-4-10-22(18)2)11-16(17)14-6-8-15(27-3)9-7-14/h4-10,16-17H,11-12H2,1-3H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyFMIBENIKOBXOPG-DLBZAZTESA-N
MW369.42 g/mol
LogP1.35
Rot. Bonds5

About N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide (PubChem CID 72897658) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide
PubChem CID72897658
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc([C@@H]2CN(C(=O)C(=O)c3cccn3C)C[C@H]2NC(C)=O)cc1
InChIInChI=1S/C20H23N3O4/c1-13(24)21-17-12-23(20(26)19(25)18-5-4-10-22(18)2)11-16(17)14-6-8-15(27-3)9-7-14/h4-10,16-17H,11-12H2,1-3H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyFMIBENIKOBXOPG-DLBZAZTESA-N
XLogP1.35
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4R)-4-(4-methoxyphenyl)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 70706732
2-[(3S,4R)-3-acetamido-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 70747208
N-[4-(4-methoxyphenyl)-1-(2-propylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 78087482
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(2-pyridin-4-ylacetyl)pyrrolidin-3-yl]acetamide
CID 72839406
N-[4-(4-methoxyphenyl)-1-(4-methylpyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 78082924
N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 72876110
N-[(3S,4R)-1-[(4-acetamidophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70735692
N-[(3S,4R)-1-(3-chloro-2-pyridinyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70740835
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]acetamide
CID 72872272
N-[(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70721869
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 70735635
N-[(3S,4R)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70748948

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide (CID 72897658) is N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide is COc1ccc([C@@H]2CN(C(=O)C(=O)c3cccn3C)C[C@H]2NC(C)=O)cc1.
What is the InChIKey of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is FMIBENIKOBXOPG-DLBZAZTESA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(24)21-17-12-23(20(26)19(25)18-5-4-10-22(18)2)11-16(17)14-6-8-15(27-3)9-7-14/h4-10,16-17H,11-12H2,1-3H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)-2-oxoacetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72897658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).