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

C28H33N3O4 — CID 59553258

IUPAC4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1N1CCOCC1
InChIInChI=1S/C28H33N3O4/c1-21-6-7-22(20-26(21)31-13-17-34-18-14-31)28(32)29-25-8-9-27(24-5-3-2-4-23(24)25)35-19-12-30-10-15-33-16-11-30/h2-9,20H,10-19H2,1H3,(H,29,32)
InChIKeyVYQJJICZDUIJKZ-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.95
Rot. Bonds7

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

4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 59553258) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID59553258
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1N1CCOCC1
InChIInChI=1S/C28H33N3O4/c1-21-6-7-22(20-26(21)31-13-17-34-18-14-31)28(32)29-25-8-9-27(24-5-3-2-4-23(24)25)35-19-12-30-10-15-33-16-11-30/h2-9,20H,10-19H2,1H3,(H,29,32)
InChIKeyVYQJJICZDUIJKZ-UHFFFAOYSA-N
XLogP3.95
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
3-(2,3-dimethoxyphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553486
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
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
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-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 59553258) is 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is VYQJJICZDUIJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-21-6-7-22(20-26(21)31-13-17-34-18-14-31)28(32)29-25-8-9-27(24-5-3-2-4-23(24)25)35-19-12-30-10-15-33-16-11-30/h2-9,20H,10-19H2,1H3,(H,29,32).
What are the key properties of 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).