N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide

C26H31N3O5 — CID 91011671

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C(O)CC(=O)N(CCO)c1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C26H31N3O5/c30-14-13-29(22-8-4-7-21(16-22)28-12-2-1-9-24(28)32)25(33)17-23(31)26(34)27-20-11-10-18-5-3-6-19(18)15-20/h4,7-8,10-11,15-16,23,30-31H,1-3,5-6,9,12-14,17H2,(H,27,34)
InChIKeyQOTZGJXOELMQBB-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.41
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide

N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide (PubChem CID 91011671) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide
PubChem CID91011671
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C(O)CC(=O)N(CCO)c1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C26H31N3O5/c30-14-13-29(22-8-4-7-21(16-22)28-12-2-1-9-24(28)32)25(33)17-23(31)26(34)27-20-11-10-18-5-3-6-19(18)15-20/h4,7-8,10-11,15-16,23,30-31H,1-3,5-6,9,12-14,17H2,(H,27,34)
InChIKeyQOTZGJXOELMQBB-UHFFFAOYSA-N
XLogP2.41
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)-3-hydroxybutanamide
CID 18452723
1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 60579490
(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperazin-1-yl]butanamide
CID 57728282
(2R,3R)-2,3-dihydroxy-4-oxo-N-(4-phenylphenyl)-4-pyrrolidin-1-ylbutanamide
CID 57728283
(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[4-(3-phenylphenyl)piperazin-1-yl]butanamide
CID 57728336
(2R,3R)-2,3-dihydroxy-N-methyl-4-(4-naphthalen-2-ylpiperazin-1-yl)-4-oxobutanamide
CID 57728452
(2R,3R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 57984994
2-hydroxy-N-(1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
CID 58181423
2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
CID 58181470
(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
CID 58181680
[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
CID 58181771
(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 58181832

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide (CID 91011671) is N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide is O=C(Nc1ccc2c(c1)CCC2)C(O)CC(=O)N(CCO)c1cccc(N2CCCCC2=O)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide?
The InChIKey is QOTZGJXOELMQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c30-14-13-29(22-8-4-7-21(16-22)28-12-2-1-9-24(28)32)25(33)17-23(31)26(34)27-20-11-10-18-5-3-6-19(18)15-20/h4,7-8,10-11,15-16,23,30-31H,1-3,5-6,9,12-14,17H2,(H,27,34).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide has a molecular weight of 465.55 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-hydroxy-N'-(2-hydroxyethyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]butanediamide is sourced from PubChem (CID 91011671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).