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

C31H32N2O5 — CID 59553486

IUPAC3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCOc1cccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)c1OC
InChIInChI=1S/C31H32N2O5/c1-35-29-12-6-11-24(30(29)36-2)22-7-5-8-23(21-22)31(34)32-27-13-14-28(26-10-4-3-9-25(26)27)38-20-17-33-15-18-37-19-16-33/h3-14,21H,15-20H2,1-2H3,(H,32,34)
InChIKeyWQFLHNSKKUOJTE-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.49
Rot. Bonds9

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

3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 59553486) has the molecular formula C31H32N2O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID59553486
Molecular FormulaC31H32N2O5
Molecular Weight512.61 g/mol
Exact Mass512.23
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCOc1cccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)c1OC
InChIInChI=1S/C31H32N2O5/c1-35-29-12-6-11-24(30(29)36-2)22-7-5-8-23(21-22)31(34)32-27-13-14-28(26-10-4-3-9-25(26)27)38-20-17-33-15-18-37-19-16-33/h3-14,21H,15-20H2,1-2H3,(H,32,34)
InChIKeyWQFLHNSKKUOJTE-UHFFFAOYSA-N
XLogP5.49
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
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-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553360
5-tert-butyl-2-methoxy-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-nitrobenzamide
CID 57419061
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 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 59553486) is 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is COc1cccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is WQFLHNSKKUOJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O5/c1-35-29-12-6-11-24(30(29)36-2)22-7-5-8-23(21-22)31(34)32-27-13-14-28(26-10-4-3-9-25(26)27)38-20-17-33-15-18-37-19-16-33/h3-14,21H,15-20H2,1-2H3,(H,32,34).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 512.61 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).