N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide

C35H32N2O4 — CID 59553162

IUPACN-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C35H32N2O4/c38-35(27-10-8-9-26(25-27)29-13-6-7-16-34(29)41-28-11-2-1-3-12-28)36-32-17-18-33(31-15-5-4-14-30(31)32)40-24-21-37-19-22-39-23-20-37/h1-18,25H,19-24H2,(H,36,38)
InChIKeyIFEQIOBAJMDYDI-UHFFFAOYSA-N
MW544.65 g/mol
LogP7.26
Rot. Bonds9

About N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide

N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide (PubChem CID 59553162) has the molecular formula C35H32N2O4 and a molecular weight of 544.65 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
PubChem CID59553162
Molecular FormulaC35H32N2O4
Molecular Weight544.65 g/mol
Exact Mass544.24
IUPAC NameN-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C35H32N2O4/c38-35(27-10-8-9-26(25-27)29-13-6-7-16-34(29)41-28-11-2-1-3-12-28)36-32-17-18-33(31-15-5-4-14-30(31)32)40-24-21-37-19-22-39-23-20-37/h1-18,25H,19-24H2,(H,36,38)
InChIKeyIFEQIOBAJMDYDI-UHFFFAOYSA-N
XLogP7.26
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
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
3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 157180794
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide (CID 59553162) is N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide?
The InChIKey is IFEQIOBAJMDYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O4/c38-35(27-10-8-9-26(25-27)29-13-6-7-16-34(29)41-28-11-2-1-3-12-28)36-32-17-18-33(31-15-5-4-14-30(31)32)40-24-21-37-19-22-39-23-20-37/h1-18,25H,19-24H2,(H,36,38).
What are the key properties of N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide?
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide has a molecular weight of 544.65 g/mol, XLogP of 7.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 59553162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).