N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide

C26H26N4O4 — CID 71451928

IUPACN-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide
SMILESCOc1ccccc1NC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H26N4O4/c1-34-24-9-5-4-8-23(24)28-26(32)30(17-18-10-12-19(13-11-18)25(31)29-33)15-14-20-16-27-22-7-3-2-6-21(20)22/h2-13,16,27,33H,14-15,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyHFHTVKBHBHGTOX-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.57
Rot. Bonds8

About N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide

N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide (PubChem CID 71451928) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide
PubChem CID71451928
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide
SMILESCOc1ccccc1NC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H26N4O4/c1-34-24-9-5-4-8-23(24)28-26(32)30(17-18-10-12-19(13-11-18)25(31)29-33)15-14-20-16-27-22-7-3-2-6-21(20)22/h2-13,16,27,33H,14-15,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyHFHTVKBHBHGTOX-UHFFFAOYSA-N
XLogP4.57
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

Pci-34051
CID 24753719
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
1-(1-Acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 5307983
1-[3-(1H-Indol-3-yl)-1-oxopropyl]-4-(2-methoxyphenyl)piperazine
CID 4241337
N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide
CID 7354608
(3R)-4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)-N-[2-[(2-methoxyphenyl)methylamino]ethyl]piperazine-1-carboxamide
CID 9874480
3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylcarbamoyl]-piperidin-4-yl}-1H-indole-5-carboxylic acid amide
CID 10529106
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide
CID 52935716
(6aR,9R)-N-(2-methoxyphenyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
CID 56670450

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide (CID 71451928) is N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide is COc1ccccc1NC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide?
The InChIKey is HFHTVKBHBHGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-34-24-9-5-4-8-23(24)28-26(32)30(17-18-10-12-19(13-11-18)25(31)29-33)15-14-20-16-27-22-7-3-2-6-21(20)22/h2-13,16,27,33H,14-15,17H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide?
N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide has a molecular weight of 458.52 g/mol, XLogP of 4.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]benzamide is sourced from PubChem (CID 71451928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).