3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide

C21H25N3O4 — CID 55814883

IUPAC3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC2CCCCNC2=O)ccc1OCc1ccncc1
InChIInChI=1S/C21H25N3O4/c1-2-27-19-13-16(20(25)24-17-5-3-4-10-23-21(17)26)6-7-18(19)28-14-15-8-11-22-12-9-15/h6-9,11-13,17H,2-5,10,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyRNWXVGNSIVUCFI-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.46
Rot. Bonds7

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

3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 55814883) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID55814883
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC2CCCCNC2=O)ccc1OCc1ccncc1
InChIInChI=1S/C21H25N3O4/c1-2-27-19-13-16(20(25)24-17-5-3-4-10-23-21(17)26)6-7-18(19)28-14-15-8-11-22-12-9-15/h6-9,11-13,17H,2-5,10,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyRNWXVGNSIVUCFI-UHFFFAOYSA-N
XLogP2.46
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-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-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46454126
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 32869689
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
N-[(2-tert-butyloxan-3-yl)methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 86972106
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide (CID 55814883) is 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NC2CCCCNC2=O)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is RNWXVGNSIVUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-27-19-13-16(20(25)24-17-5-3-4-10-23-21(17)26)6-7-18(19)28-14-15-8-11-22-12-9-15/h6-9,11-13,17H,2-5,10,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 55814883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).