N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide

C22H25N3O4 — CID 24753808

IUPACN-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
SMILESCOc1ccc(Cn2cc(CN3CCOCC3)c3ccc(C(=O)NO)cc32)cc1
InChIInChI=1S/C22H25N3O4/c1-28-19-5-2-16(3-6-19)13-25-15-18(14-24-8-10-29-11-9-24)20-7-4-17(12-21(20)25)22(26)23-27/h2-7,12,15,27H,8-11,13-14H2,1H3,(H,23,26)
InChIKeyAPJLLPDZLSXROL-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.65
Rot. Bonds6

About N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide

N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide (PubChem CID 24753808) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
PubChem CID24753808
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
SMILESCOc1ccc(Cn2cc(CN3CCOCC3)c3ccc(C(=O)NO)cc32)cc1
InChIInChI=1S/C22H25N3O4/c1-28-19-5-2-16(3-6-19)13-25-15-18(14-24-8-10-29-11-9-24)20-7-4-17(12-21(20)25)22(26)23-27/h2-7,12,15,27H,8-11,13-14H2,1H3,(H,23,26)
InChIKeyAPJLLPDZLSXROL-UHFFFAOYSA-N
XLogP2.65
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate
CID 67253570
3-[(dimethylamino)methyl]-N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carbothioamide
CID 87641707
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898106
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266024
4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898110

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide?
The IUPAC name of N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide (CID 24753808) is N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide is COc1ccc(Cn2cc(CN3CCOCC3)c3ccc(C(=O)NO)cc32)cc1.
What is the InChIKey of N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide?
The InChIKey is APJLLPDZLSXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-19-5-2-16(3-6-19)13-25-15-18(14-24-8-10-29-11-9-24)20-7-4-17(12-21(20)25)22(26)23-27/h2-7,12,15,27H,8-11,13-14H2,1H3,(H,23,26).
What are the key properties of N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide?
N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide is sourced from PubChem (CID 24753808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).