N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide

C21H22N2O6 — CID 137432029

IUPACN-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide
SMILESCOc1cc(C(=O)c2ccc3c(ccn3CCC(=O)NO)c2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O6/c1-27-17-11-15(12-18(28-2)21(17)29-3)20(25)14-4-5-16-13(10-14)6-8-23(16)9-7-19(24)22-26/h4-6,8,10-12,26H,7,9H2,1-3H3,(H,22,24)
InChIKeyGHKBHTCSNRHXRW-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.79
Rot. Bonds8

About N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide

N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide (PubChem CID 137432029) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide
PubChem CID137432029
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC NameN-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide
SMILESCOc1cc(C(=O)c2ccc3c(ccn3CCC(=O)NO)c2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O6/c1-27-17-11-15(12-18(28-2)21(17)29-3)20(25)14-4-5-16-13(10-14)6-8-23(16)9-7-19(24)22-26/h4-6,8,10-12,26H,7,9H2,1-3H3,(H,22,24)
InChIKeyGHKBHTCSNRHXRW-UHFFFAOYSA-N
XLogP2.79
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
1-[3-(methylamino)-3-oxopropyl]indole-5-carboxylic acid
CID 63749471
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde
CID 71606868
CID 175926008
CID 175926008
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide?
The IUPAC name of N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide (CID 137432029) is N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide is COc1cc(C(=O)c2ccc3c(ccn3CCC(=O)NO)c2)cc(OC)c1OC.
What is the InChIKey of N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide?
The InChIKey is GHKBHTCSNRHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-27-17-11-15(12-18(28-2)21(17)29-3)20(25)14-4-5-16-13(10-14)6-8-23(16)9-7-19(24)22-26/h4-6,8,10-12,26H,7,9H2,1-3H3,(H,22,24).
What are the key properties of N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide?
N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide has a molecular weight of 398.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[5-(3,4,5-trimethoxybenzoyl)indol-1-yl]propanamide is sourced from PubChem (CID 137432029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).