5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide

C20H30N2O3 — CID 110303155

IUPAC5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCC(C)(C)N2CCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(2,22-13-4-5-14-22)15-21-19(24)8-6-7-18(23)16-9-11-17(25-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3,(H,21,24)
InChIKeyRIEIVMLCEWSOLQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.04
Rot. Bonds9

About 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide

5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide (PubChem CID 110303155) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
PubChem CID110303155
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCC(C)(C)N2CCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-20(2,22-13-4-5-14-22)15-21-19(24)8-6-7-18(23)16-9-11-17(25-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3,(H,21,24)
InChIKeyRIEIVMLCEWSOLQ-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51313176
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622556
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
2-(3-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164393
3,5-dimethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 34767039
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110615072

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide (CID 110303155) is 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCC(C)(C)N2CCCC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide?
The InChIKey is RIEIVMLCEWSOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,22-13-4-5-14-22)15-21-19(24)8-6-7-18(23)16-9-11-17(25-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3,(H,21,24).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide?
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide has a molecular weight of 346.47 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide is sourced from PubChem (CID 110303155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).