3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

C29H35N3O4 — CID 143171289

IUPAC3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCC1CN(c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)C[C@@H](C)O1
InChIInChI=1S/C29H35N3O4/c1-21-19-32(20-22(2)36-21)24-7-5-6-23(18-24)29(33)30-27-10-11-28(26-9-4-3-8-25(26)27)35-17-14-31-12-15-34-16-13-31/h3-11,18,21-22H,12-17,19-20H2,1-2H3,(H,30,33)/t21-,22?/m1/s1
InChIKeyZGXIHWPFBBEUMN-ZMFCMNQTSA-N
MW489.62 g/mol
LogP4.42
Rot. Bonds7

About 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 143171289) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID143171289
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC Name3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESCC1CN(c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)C[C@@H](C)O1
InChIInChI=1S/C29H35N3O4/c1-21-19-32(20-22(2)36-21)24-7-5-6-23(18-24)29(33)30-27-10-11-28(26-9-4-3-8-25(26)27)35-17-14-31-12-15-34-16-13-31/h3-11,18,21-22H,12-17,19-20H2,1-2H3,(H,30,33)/t21-,22?/m1/s1
InChIKeyZGXIHWPFBBEUMN-ZMFCMNQTSA-N
XLogP4.42
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(4-ethenylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553458
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
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
4-(dimethylamino)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553215
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
[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
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-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 143171289) is 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is CC1CN(c2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)C[C@@H](C)O1.
What is the InChIKey of 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is ZGXIHWPFBBEUMN-ZMFCMNQTSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-21-19-32(20-22(2)36-21)24-7-5-6-23(18-24)29(33)30-27-10-11-28(26-9-4-3-8-25(26)27)35-17-14-31-12-15-34-16-13-31/h3-11,18,21-22H,12-17,19-20H2,1-2H3,(H,30,33)/t21-,22?/m1/s1.
What are the key properties of 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 143171289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).