N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

C26H27N3O3 — CID 162661703

IUPACN-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1O
InChIInChI=1S/C26H27N3O3/c1-18(30)28-14-13-27-17-21-11-10-20(16-25(21)31)26(32)29-15-12-23-22(8-5-9-24(23)29)19-6-3-2-4-7-19/h2-11,16,27,31H,12-15,17H2,1H3,(H,28,30)
InChIKeyWGODIFXEADMYAH-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.49
Rot. Bonds7

About N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (PubChem CID 162661703) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
PubChem CID162661703
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1O
InChIInChI=1S/C26H27N3O3/c1-18(30)28-14-13-27-17-21-11-10-20(16-25(21)31)26(32)29-15-12-23-22(8-5-9-24(23)29)19-6-3-2-4-7-19/h2-11,16,27,31H,12-15,17H2,1H3,(H,28,30)
InChIKeyWGODIFXEADMYAH-UHFFFAOYSA-N
XLogP3.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-(diethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methylselenophene-3-carboxamide
CID 44184236
5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methyl-N-(2-(pyrrolidin-1-yl)ethyl)selenophene-3-carboxamide
CID 44184395
2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-
CID 21325
N-(2-(dimethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methylselenophene-3-carboxamide
CID 46933087
5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methyl-N-(2-morpholinoethyl)selenophene-3-carboxamide
CID 49865508
4-Fluoro-N-(2-[4-(7-hydroxy-naphthalen-1-YL)-piperazin-1-YL]-ethyl)-benzamide
CID 19808475
4-butyl-N-(7-hydroxynaphthalen-1-yl)benzamide
CID 44450356
(2R)-3-hydroxy-2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]propanoic acid
CID 162650596
PD-1/PD-L1-IN 6
CID 162650815
N-[2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
CID 162673791
N-(2-(dimethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)selenophene-2-carboxamide
CID 49865416
N-(2-(diethylamino)ethyl)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)methyl)selenophene-2-carboxamide
CID 49865417

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (CID 162661703) is N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1O.
What is the InChIKey of N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is WGODIFXEADMYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18(30)28-14-13-27-17-21-11-10-20(16-25(21)31)26(32)29-15-12-23-22(8-5-9-24(23)29)19-6-3-2-4-7-19/h2-11,16,27,31H,12-15,17H2,1H3,(H,28,30).
What are the key properties of N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162661703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).