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

C31H30N2O3 — CID 59553458

IUPAC3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESC=Cc1ccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)cc1
InChIInChI=1S/C31H30N2O3/c1-2-23-10-12-24(13-11-23)25-6-5-7-26(22-25)31(34)32-29-14-15-30(28-9-4-3-8-27(28)29)36-21-18-33-16-19-35-20-17-33/h2-15,22H,1,16-21H2,(H,32,34)
InChIKeyGQRCQFJFKGCVOQ-UHFFFAOYSA-N
MW478.59 g/mol
LogP6.11
Rot. Bonds8

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

3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 59553458) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID59553458
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESC=Cc1ccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)cc1
InChIInChI=1S/C31H30N2O3/c1-2-23-10-12-24(13-11-23)25-6-5-7-26(22-25)31(34)32-29-14-15-30(28-9-4-3-8-27(28)29)36-21-18-33-16-19-35-20-17-33/h2-15,22H,1,16-21H2,(H,32,34)
InChIKeyGQRCQFJFKGCVOQ-UHFFFAOYSA-N
XLogP6.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
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
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 59553458) is 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is C=Cc1ccc(-c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is GQRCQFJFKGCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-2-23-10-12-24(13-11-23)25-6-5-7-26(22-25)31(34)32-29-14-15-30(28-9-4-3-8-27(28)29)36-21-18-33-16-19-35-20-17-33/h2-15,22H,1,16-21H2,(H,32,34).
What are the key properties of 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).