N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

C26H33FN2O5 — CID 45182238

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CC2(CCC(=O)N(C)CCc3ccc(OC)c(OC)c3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H33FN2O5/c1-29(14-11-18-5-8-22(33-3)23(15-18)34-4)25(31)10-13-26(12-9-24(30)28-26)17-19-6-7-20(32-2)16-21(19)27/h5-8,15-16H,9-14,17H2,1-4H3,(H,28,30)
InChIKeyWRAUKSPXMSOWCF-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.52
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (PubChem CID 45182238) has the molecular formula C26H33FN2O5 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
PubChem CID45182238
Molecular FormulaC26H33FN2O5
Molecular Weight472.56 g/mol
Exact Mass472.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CC2(CCC(=O)N(C)CCc3ccc(OC)c(OC)c3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H33FN2O5/c1-29(14-11-18-5-8-22(33-3)23(15-18)34-4)25(31)10-13-26(12-9-24(30)28-26)17-19-6-7-20(32-2)16-21(19)27/h5-8,15-16H,9-14,17H2,1-4H3,(H,28,30)
InChIKeyWRAUKSPXMSOWCF-UHFFFAOYSA-N
XLogP3.52
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42163266
N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42164277
3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 45171932
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 125161883
3-[2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 45168832
3-[(2R)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 26274935
3-[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
CID 42448824
5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45168482
(5S)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42372932
(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42406412
(5R)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 26278109
3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3R)-oxolan-3-yl]propanamide
CID 42451130

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (CID 45182238) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is COc1ccc(CC2(CCC(=O)N(C)CCc3ccc(OC)c(OC)c3)CCC(=O)N2)c(F)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The InChIKey is WRAUKSPXMSOWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O5/c1-29(14-11-18-5-8-22(33-3)23(15-18)34-4)25(31)10-13-26(12-9-24(30)28-26)17-19-6-7-20(32-2)16-21(19)27/h5-8,15-16H,9-14,17H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide has a molecular weight of 472.56 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 45182238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).