4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide

C19H24N2O5 — CID 84552154

IUPAC4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(NC(=O)CCCOc2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-23-16-11-13(12-17(24-2)19(16)25-3)21-18(22)9-6-10-26-15-8-5-4-7-14(15)20/h4-5,7-8,11-12H,6,9-10,20H2,1-3H3,(H,21,22)
InChIKeyOYLPPUWXGTXBMK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.09
Rot. Bonds9

About 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide

4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 84552154) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID84552154
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(NC(=O)CCCOc2ccccc2N)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-23-16-11-13(12-17(24-2)19(16)25-3)21-18(22)9-6-10-26-15-8-5-4-7-14(15)20/h4-5,7-8,11-12H,6,9-10,20H2,1-3H3,(H,21,22)
InChIKeyOYLPPUWXGTXBMK-UHFFFAOYSA-N
XLogP3.09
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]butanamide
CID 164618694
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
CID 164618403
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide (CID 84552154) is 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide is COc1cc(NC(=O)CCCOc2ccccc2N)cc(OC)c1OC.
What is the InChIKey of 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is OYLPPUWXGTXBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-23-16-11-13(12-17(24-2)19(16)25-3)21-18(22)9-6-10-26-15-8-5-4-7-14(15)20/h4-5,7-8,11-12H,6,9-10,20H2,1-3H3,(H,21,22).
What are the key properties of 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide?
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 360.41 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 84552154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).