N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide

C28H26N4O4 — CID 135441376

IUPACN-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)c2ccc3[nH]c(O)c(/C=N/c4ccc(N5CCOCC5)cc4)c3c2)c1
InChIInChI=1S/C28H26N4O4/c1-18(33)30-22-4-2-3-19(15-22)27(34)20-5-10-26-24(16-20)25(28(35)31-26)17-29-21-6-8-23(9-7-21)32-11-13-36-14-12-32/h2-10,15-17,31,35H,11-14H2,1H3,(H,30,33)/b29-17+
InChIKeyDUNJYHPURPCSFO-STBIYBPSSA-N
MW482.54 g/mol
LogP4.65
Rot. Bonds6

About N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide

N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide (PubChem CID 135441376) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
PubChem CID135441376
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)c2ccc3[nH]c(O)c(/C=N/c4ccc(N5CCOCC5)cc4)c3c2)c1
InChIInChI=1S/C28H26N4O4/c1-18(33)30-22-4-2-3-19(15-22)27(34)20-5-10-26-24(16-20)25(28(35)31-26)17-29-21-6-8-23(9-7-21)32-11-13-36-14-12-32/h2-10,15-17,31,35H,11-14H2,1H3,(H,30,33)/b29-17+
InChIKeyDUNJYHPURPCSFO-STBIYBPSSA-N
XLogP4.65
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide (CID 135441376) is N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)c2ccc3[nH]c(O)c(/C=N/c4ccc(N5CCOCC5)cc4)c3c2)c1.
What is the InChIKey of N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide?
The InChIKey is DUNJYHPURPCSFO-STBIYBPSSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-18(33)30-22-4-2-3-19(15-22)27(34)20-5-10-26-24(16-20)25(28(35)31-26)17-29-21-6-8-23(9-7-21)32-11-13-36-14-12-32/h2-10,15-17,31,35H,11-14H2,1H3,(H,30,33)/b29-17+.
What are the key properties of N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide?
N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide has a molecular weight of 482.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide is sourced from PubChem (CID 135441376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).