4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C23H30N2O4 — CID 36642356

IUPAC4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-17-14-25(15-18(2)29-17)16-19-4-6-20(7-5-19)23(26)24-12-13-28-22-10-8-21(27-3)9-11-22/h4-11,17-18H,12-16H2,1-3H3,(H,24,26)/t17-,18-/m0/s1
InChIKeyZWTVZWOOTOFUOT-ROUUACIJSA-N
MW398.50 g/mol
LogP3.11
Rot. Bonds8

About 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide

4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 36642356) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID36642356
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-17-14-25(15-18(2)29-17)16-19-4-6-20(7-5-19)23(26)24-12-13-28-22-10-8-21(27-3)9-11-22/h4-11,17-18H,12-16H2,1-3H3,(H,24,26)/t17-,18-/m0/s1
InChIKeyZWTVZWOOTOFUOT-ROUUACIJSA-N
XLogP3.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 46404632
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94020974
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55637352
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 51940497
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 55521788
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46413657

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 36642356) is 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1.
What is the InChIKey of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is ZWTVZWOOTOFUOT-ROUUACIJSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17-14-25(15-18(2)29-17)16-19-4-6-20(7-5-19)23(26)24-12-13-28-22-10-8-21(27-3)9-11-22/h4-11,17-18H,12-16H2,1-3H3,(H,24,26)/t17-,18-/m0/s1.
What are the key properties of 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 36642356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).