1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide

C22H30N4O4 — CID 11090985

IUPAC1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c1)C(=O)N1CCCC1
InChIInChI=1S/C22H30N4O4/c1-15(21(29)25-10-3-4-11-25)23-19(27)17-8-7-9-18(14-17)20(28)24-16(2)22(30)26-12-5-6-13-26/h7-9,14-16H,3-6,10-13H2,1-2H3,(H,23,27)(H,24,28)/t15-,16-/m0/s1
InChIKeyQIESTGBTFXFNEW-HOTGVXAUSA-N
MW414.51 g/mol
LogP1.17
Rot. Bonds6

About 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide

1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide (PubChem CID 11090985) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
PubChem CID11090985
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c1)C(=O)N1CCCC1
InChIInChI=1S/C22H30N4O4/c1-15(21(29)25-10-3-4-11-25)23-19(27)17-8-7-9-18(14-17)20(28)24-16(2)22(30)26-12-5-6-13-26/h7-9,14-16H,3-6,10-13H2,1-2H3,(H,23,27)(H,24,28)/t15-,16-/m0/s1
InChIKeyQIESTGBTFXFNEW-HOTGVXAUSA-N
XLogP1.17
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
2,3-dihydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 114344654
3-nitro-N-[1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55376068

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide (CID 11090985) is 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide is C[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c1)C(=O)N1CCCC1.
What is the InChIKey of 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide?
The InChIKey is QIESTGBTFXFNEW-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15(21(29)25-10-3-4-11-25)23-19(27)17-8-7-9-18(14-17)20(28)24-16(2)22(30)26-12-5-6-13-26/h7-9,14-16H,3-6,10-13H2,1-2H3,(H,23,27)(H,24,28)/t15-,16-/m0/s1.
What are the key properties of 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 11090985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).