1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C24H30FN3O3 — CID 55851895

IUPAC1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2CC(=O)NC(c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C24H30FN3O3/c1-16(2)23(17-6-8-18(25)9-7-17)27-22(29)15-28-14-4-5-21(28)24(30)26-19-10-12-20(31-3)13-11-19/h6-13,16,21,23H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAPXKMEWMIPOLGE-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.75
Rot. Bonds8

About 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 55851895) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID55851895
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2CC(=O)NC(c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C24H30FN3O3/c1-16(2)23(17-6-8-18(25)9-7-17)27-22(29)15-28-14-4-5-21(28)24(30)26-19-10-12-20(31-3)13-11-19/h6-13,16,21,23H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAPXKMEWMIPOLGE-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542312
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 100898340
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 55741772
(2R)-N-(4-methoxyphenyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide
CID 124742130
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 55851895) is 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2CC(=O)NC(c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is APXKMEWMIPOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-16(2)23(17-6-8-18(25)9-7-17)27-22(29)15-28-14-4-5-21(28)24(30)26-19-10-12-20(31-3)13-11-19/h6-13,16,21,23H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55851895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).