N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C25H28N2O4 — CID 55953832

IUPACN-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1
InChIInChI=1S/C25H28N2O4/c1-3-5-15-30-22-11-7-6-10-21(22)27-25(28)20-12-13-23(24(16-20)29-4-2)31-18-19-9-8-14-26-17-19/h6-14,16-17H,3-5,15,18H2,1-2H3,(H,27,28)
InChIKeyJZFKXJQSLKCPPA-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.49
Rot. Bonds11

About N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55953832) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55953832
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1
InChIInChI=1S/C25H28N2O4/c1-3-5-15-30-22-11-7-6-10-21(22)27-25(28)20-12-13-23(24(16-20)29-4-2)31-18-19-9-8-14-26-17-19/h6-14,16-17H,3-5,15,18H2,1-2H3,(H,27,28)
InChIKeyJZFKXJQSLKCPPA-UHFFFAOYSA-N
XLogP5.49
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide 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

3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 55953832) is N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCCCOc1ccccc1NC(=O)c1ccc(OCc2cccnc2)c(OCC)c1.
What is the InChIKey of N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is JZFKXJQSLKCPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-5-15-30-22-11-7-6-10-21(22)27-25(28)20-12-13-23(24(16-20)29-4-2)31-18-19-9-8-14-26-17-19/h6-14,16-17H,3-5,15,18H2,1-2H3,(H,27,28).
What are the key properties of N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 420.51 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55953832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).