3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide

C32H34N2O4 — CID 143171320

IUPAC3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
SMILESCCOc1ccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCCOCC4)c4ccccc34)c2)cc1
InChIInChI=1S/C32H34N2O4/c1-2-37-27-13-11-24(12-14-27)25-7-5-8-26(23-25)32(35)33-30-15-16-31(29-10-4-3-9-28(29)30)38-22-19-34-17-6-20-36-21-18-34/h3-5,7-16,23H,2,6,17-22H2,1H3,(H,33,35)
InChIKeyIUNULCNOQSOCAD-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.26
Rot. Bonds9

About 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide

3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide (PubChem CID 143171320) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
PubChem CID143171320
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
SMILESCCOc1ccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCCOCC4)c4ccccc34)c2)cc1
InChIInChI=1S/C32H34N2O4/c1-2-37-27-13-11-24(12-14-27)25-7-5-8-26(23-25)32(35)33-30-15-16-31(29-10-4-3-9-28(29)30)38-22-19-34-17-6-20-36-21-18-34/h3-5,7-16,23H,2,6,17-22H2,1H3,(H,33,35)
InChIKeyIUNULCNOQSOCAD-UHFFFAOYSA-N
XLogP6.26
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458
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CID 59553438
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
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3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
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4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
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4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide (CID 143171320) is 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide is CCOc1ccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCCOCC4)c4ccccc34)c2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide?
The InChIKey is IUNULCNOQSOCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-2-37-27-13-11-24(12-14-27)25-7-5-8-26(23-25)32(35)33-30-15-16-31(29-10-4-3-9-28(29)30)38-22-19-34-17-6-20-36-21-18-34/h3-5,7-16,23H,2,6,17-22H2,1H3,(H,33,35).
What are the key properties of 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide?
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide has a molecular weight of 510.63 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide is sourced from PubChem (CID 143171320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).