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

C24H23N3O3 — CID 59553360

IUPAC4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C24H23N3O3/c25-17-18-5-7-19(8-6-18)24(28)26-22-9-10-23(21-4-2-1-3-20(21)22)30-16-13-27-11-14-29-15-12-27/h1-10H,11-16H2,(H,26,28)
InChIKeyBFTKVRKBWNSXGY-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.67
Rot. Bonds6

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

4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 59553360) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID59553360
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C24H23N3O3/c25-17-18-5-7-19(8-6-18)24(28)26-22-9-10-23(21-4-2-1-3-20(21)22)30-16-13-27-11-14-29-15-12-27/h1-10H,11-16H2,(H,26,28)
InChIKeyBFTKVRKBWNSXGY-UHFFFAOYSA-N
XLogP3.67
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
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
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-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 157180794
1-(2-ethoxy-5-trimethylsilylphenyl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11409584

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 59553360) is 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is BFTKVRKBWNSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c25-17-18-5-7-19(8-6-18)24(28)26-22-9-10-23(21-4-2-1-3-20(21)22)30-16-13-27-11-14-29-15-12-27/h1-10H,11-16H2,(H,26,28).
What are the key properties of 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).