N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide

C25H21N3O5 — CID 135441253

IUPACN-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3cc(C(=O)c4ccc(NC(C)=O)cc4)ccc23)cc1O
InChIInChI=1S/C25H21N3O5/c1-14(29)27-17-6-3-15(4-7-17)24(31)16-5-9-19-20(25(32)28-21(19)11-16)13-26-18-8-10-23(33-2)22(30)12-18/h3-13,28,30,32H,1-2H3,(H,27,29)/b26-13+
InChIKeyFBPKYLADFWLMPX-LGJNPRDNSA-N
MW443.46 g/mol
LogP4.53
Rot. Bonds6

About N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide

N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide (PubChem CID 135441253) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
PubChem CID135441253
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC NameN-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
SMILESCOc1ccc(/N=C/c2c(O)[nH]c3cc(C(=O)c4ccc(NC(C)=O)cc4)ccc23)cc1O
InChIInChI=1S/C25H21N3O5/c1-14(29)27-17-6-3-15(4-7-17)24(31)16-5-9-19-20(25(32)28-21(19)11-16)13-26-18-8-10-23(33-2)22(30)12-18/h3-13,28,30,32H,1-2H3,(H,27,29)/b26-13+
InChIKeyFBPKYLADFWLMPX-LGJNPRDNSA-N
XLogP4.53
TPSA124.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
methyl 2-hydroxy-3-[[4-(methylamino)phenyl]iminomethyl]-1H-indole-6-carboxylate
CID 138462659
2-tert-butyl-N-[3-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 158022388
4-[(2-hydroxy-6-methoxycarbonyl-1H-indol-3-yl)methylideneamino]benzoic acid
CID 135837755
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
CID 135441376
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide
CID 57105559
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
N-[4-[2-hydroxy-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indole-5-carbonyl]phenyl]thiophene-2-carboxamide
CID 140548059

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide (CID 135441253) is N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide is COc1ccc(/N=C/c2c(O)[nH]c3cc(C(=O)c4ccc(NC(C)=O)cc4)ccc23)cc1O.
What is the InChIKey of N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide?
The InChIKey is FBPKYLADFWLMPX-LGJNPRDNSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-14(29)27-17-6-3-15(4-7-17)24(31)16-5-9-19-20(25(32)28-21(19)11-16)13-26-18-8-10-23(33-2)22(30)12-18/h3-13,28,30,32H,1-2H3,(H,27,29)/b26-13+.
What are the key properties of N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide?
N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide has a molecular weight of 443.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide is sourced from PubChem (CID 135441253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).