3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide

C27H26N2O4 — CID 55863222

IUPAC3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCOc2cccc3ccccc23)ccc1OCc1cccnc1
InChIInChI=1S/C27H26N2O4/c1-2-31-26-17-22(12-13-25(26)33-19-20-7-6-14-28-18-20)27(30)29-15-16-32-24-11-5-9-21-8-3-4-10-23(21)24/h3-14,17-18H,2,15-16,19H2,1H3,(H,29,30)
InChIKeyFPEWQHHVVMZCIW-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.02
Rot. Bonds10

About 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55863222) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55863222
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCOc2cccc3ccccc23)ccc1OCc1cccnc1
InChIInChI=1S/C27H26N2O4/c1-2-31-26-17-22(12-13-25(26)33-19-20-7-6-14-28-18-20)27(30)29-15-16-32-24-11-5-9-21-8-3-4-10-23(21)24/h3-14,17-18H,2,15-16,19H2,1H3,(H,29,30)
InChIKeyFPEWQHHVVMZCIW-UHFFFAOYSA-N
XLogP5.02
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55715428
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 43059032
N-[2-(3-bromophenoxy)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55976654

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 55863222) is 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCCOc2cccc3ccccc23)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FPEWQHHVVMZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-2-31-26-17-22(12-13-25(26)33-19-20-7-6-14-28-18-20)27(30)29-15-16-32-24-11-5-9-21-8-3-4-10-23(21)24/h3-14,17-18H,2,15-16,19H2,1H3,(H,29,30).
What are the key properties of 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55863222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).