N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide

C27H30N2O7 — CID 164618694

IUPACN-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C27H30N2O7/c1-32-21-12-11-17(26(31)18-15-23(33-2)27(35-4)24(16-18)34-3)14-22(21)36-13-7-10-25(30)29-20-9-6-5-8-19(20)28/h5-6,8-9,11-12,14-16H,7,10,13,28H2,1-4H3,(H,29,30)
InChIKeyIXZYNYVHUALVKX-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.33
Rot. Bonds12

About N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide

N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide (PubChem CID 164618694) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
PubChem CID164618694
Molecular FormulaC27H30N2O7
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC NameN-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C27H30N2O7/c1-32-21-12-11-17(26(31)18-15-23(33-2)27(35-4)24(16-18)34-3)14-22(21)36-13-7-10-25(30)29-20-9-6-5-8-19(20)28/h5-6,8-9,11-12,14-16H,7,10,13,28H2,1-4H3,(H,29,30)
InChIKeyIXZYNYVHUALVKX-UHFFFAOYSA-N
XLogP4.33
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide 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-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
CID 164618403
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide
CID 175347336
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide (CID 164618694) is N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide is COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide?
The InChIKey is IXZYNYVHUALVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-32-21-12-11-17(26(31)18-15-23(33-2)27(35-4)24(16-18)34-3)14-22(21)36-13-7-10-25(30)29-20-9-6-5-8-19(20)28/h5-6,8-9,11-12,14-16H,7,10,13,28H2,1-4H3,(H,29,30).
What are the key properties of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide?
N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide has a molecular weight of 494.54 g/mol, XLogP of 4.33, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide is sourced from PubChem (CID 164618694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).