4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide

C18H22N2O4 — CID 18139589

IUPAC4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C18H22N2O4/c1-22-15-6-8-16(9-7-15)24-11-3-4-17(21)19-12-14-5-10-18(23-2)20-13-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyDCYBBKWRQHRHDN-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.57
Rot. Bonds9

About 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide

4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide (PubChem CID 18139589) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
PubChem CID18139589
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C18H22N2O4/c1-22-15-6-8-16(9-7-15)24-11-3-4-17(21)19-12-14-5-10-18(23-2)20-13-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyDCYBBKWRQHRHDN-UHFFFAOYSA-N
XLogP2.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]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-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158
N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172882152
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 91646463
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
1-[(4-methoxyphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111183561

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide (CID 18139589) is 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide is COc1ccc(OCCCC(=O)NCc2ccc(OC)nc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
The InChIKey is DCYBBKWRQHRHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-15-6-8-16(9-7-15)24-11-3-4-17(21)19-12-14-5-10-18(23-2)20-13-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide has a molecular weight of 330.38 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 18139589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).