2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide

C24H26N4O5 — CID 4170146

IUPAC2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
SMILESO=C(NC(CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C24H26N4O5/c29-16-21(24(32)25-17-3-5-18(6-4-17)28-11-13-33-14-12-28)26-23(31)20-15-19(7-8-22(20)30)27-9-1-2-10-27/h1-10,15,21,29-30H,11-14,16H2,(H,25,32)(H,26,31)
InChIKeyXLBPGOXWIGSIRJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP1.75
Rot. Bonds7

About 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide

2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide (PubChem CID 4170146) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
PubChem CID4170146
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
SMILESO=C(NC(CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C24H26N4O5/c29-16-21(24(32)25-17-3-5-18(6-4-17)28-11-13-33-14-12-28)26-23(31)20-15-19(7-8-22(20)30)27-9-1-2-10-27/h1-10,15,21,29-30H,11-14,16H2,(H,25,32)(H,26,31)
InChIKeyXLBPGOXWIGSIRJ-UHFFFAOYSA-N
XLogP1.75
TPSA116.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724682
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723845
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
benzyl 4-[(2S)-3-hydroxy-2-[(2-hydroxy-5-pyrrol-1-ylbenzoyl)amino]propanoyl]-1,4-diazepane-1-carboxylate
CID 6723300
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2,3-dibromo-3-(4-fluorophenyl)-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 46878979
4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]benzamide
CID 25353454
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide?
The IUPAC name of 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide (CID 4170146) is 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide?
The canonical SMILES for 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide is O=C(NC(CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cc(-n2cccc2)ccc1O.
What is the InChIKey of 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide?
The InChIKey is XLBPGOXWIGSIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c29-16-21(24(32)25-17-3-5-18(6-4-17)28-11-13-33-14-12-28)26-23(31)20-15-19(7-8-22(20)30)27-9-1-2-10-27/h1-10,15,21,29-30H,11-14,16H2,(H,25,32)(H,26,31).
What are the key properties of 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide?
2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide has a molecular weight of 450.50 g/mol, XLogP of 1.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide is sourced from PubChem (CID 4170146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).