N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H24N2O4 — CID 131946358

IUPACN-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1ccc(CCNC(=O)C2CNC(=O)C2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-3-8-23-14-5-4-12(9-15(14)22-2)6-7-18-17(21)13-10-16(20)19-11-13/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCAZKYVNCROXFTB-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.28
Rot. Bonds8

About N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 131946358) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID131946358
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCOc1ccc(CCNC(=O)C2CNC(=O)C2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-3-8-23-14-5-4-12(9-15(14)22-2)6-7-18-17(21)13-10-16(20)19-11-13/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCAZKYVNCROXFTB-UHFFFAOYSA-N
XLogP1.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981980
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95862542
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
(2R)-2-amino-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-3-methyl-3-methylsulfanylbutanamide
CID 162629982
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981746
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 131946358) is N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCCOc1ccc(CCNC(=O)C2CNC(=O)C2)cc1OC.
What is the InChIKey of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CAZKYVNCROXFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-8-23-14-5-4-12(9-15(14)22-2)6-7-18-17(21)13-10-16(20)19-11-13/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131946358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).