N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C26H33N3O3 — CID 75448758

IUPACN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC(C)C2CCN(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-3-32-24-12-8-7-11-23(24)29-18-22(15-25(29)30)26(31)27-19(2)21-13-14-28(17-21)16-20-9-5-4-6-10-20/h4-12,19,21-22H,3,13-18H2,1-2H3,(H,27,31)
InChIKeyYDYOORRNCVKOJW-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.46
Rot. Bonds8

About N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 75448758) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID75448758
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC(C)C2CCN(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-3-32-24-12-8-7-11-23(24)29-18-22(15-25(29)30)26(31)27-19(2)21-13-14-28(17-21)16-20-9-5-4-6-10-20/h4-12,19,21-22H,3,13-18H2,1-2H3,(H,27,31)
InChIKeyYDYOORRNCVKOJW-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
1-(2-ethoxyphenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55751598
1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55945187
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 24552104
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55407338

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 75448758) is N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NC(C)C2CCN(Cc3ccccc3)C2)CC1=O.
What is the InChIKey of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YDYOORRNCVKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-3-32-24-12-8-7-11-23(24)29-18-22(15-25(29)30)26(31)27-19(2)21-13-14-28(17-21)16-20-9-5-4-6-10-20/h4-12,19,21-22H,3,13-18H2,1-2H3,(H,27,31).
What are the key properties of N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75448758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).