3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide

C27H34N4O4 — CID 18447962

IUPAC3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
SMILESCC(C)(CN1CCOCC1)c1ccc(N2CC(CNC(=O)c3cccc(C(N)=O)c3)CC2=O)cc1
InChIInChI=1S/C27H34N4O4/c1-27(2,18-30-10-12-35-13-11-30)22-6-8-23(9-7-22)31-17-19(14-24(31)32)16-29-26(34)21-5-3-4-20(15-21)25(28)33/h3-9,15,19H,10-14,16-18H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyROUYUBHLCMAGCM-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.18
Rot. Bonds8

About 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide

3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide (PubChem CID 18447962) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
PubChem CID18447962
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
SMILESCC(C)(CN1CCOCC1)c1ccc(N2CC(CNC(=O)c3cccc(C(N)=O)c3)CC2=O)cc1
InChIInChI=1S/C27H34N4O4/c1-27(2,18-30-10-12-35-13-11-30)22-6-8-23(9-7-22)31-17-19(14-24(31)32)16-29-26(34)21-5-3-4-20(15-21)25(28)33/h3-9,15,19H,10-14,16-18H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyROUYUBHLCMAGCM-UHFFFAOYSA-N
XLogP2.18
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918301
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 11225164
N-[[5-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 18448030
3-(aminomethyl)-N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 18447641
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16919018
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987

Frequently Asked Questions

What is the IUPAC name of 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide (CID 18447962) is 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide is CC(C)(CN1CCOCC1)c1ccc(N2CC(CNC(=O)c3cccc(C(N)=O)c3)CC2=O)cc1.
What is the InChIKey of 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
The InChIKey is ROUYUBHLCMAGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-27(2,18-30-10-12-35-13-11-30)22-6-8-23(9-7-22)31-17-19(14-24(31)32)16-29-26(34)21-5-3-4-20(15-21)25(28)33/h3-9,15,19H,10-14,16-18H2,1-2H3,(H2,28,33)(H,29,34).
What are the key properties of 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide has a molecular weight of 478.59 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[1-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 18447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).