N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide

C26H30N4O3 — CID 141482502

IUPACN-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(NN4CCOCC4)c3)c2)cc1
InChIInChI=1S/C26H30N4O3/c1-19-6-8-21(9-7-19)18-28-26(31)23-5-3-4-22(16-23)20(2)33-24-10-11-27-25(17-24)29-30-12-14-32-15-13-30/h3-11,16-17,20H,12-15,18H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyWSVHAALEDZEQMN-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.12
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide

N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide (PubChem CID 141482502) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
PubChem CID141482502
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(NN4CCOCC4)c3)c2)cc1
InChIInChI=1S/C26H30N4O3/c1-19-6-8-21(9-7-19)18-28-26(31)23-5-3-4-22(16-23)20(2)33-24-10-11-27-25(17-24)29-30-12-14-32-15-13-30/h3-11,16-17,20H,12-15,18H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyWSVHAALEDZEQMN-UHFFFAOYSA-N
XLogP4.12
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide (CID 141482502) is N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide is Cc1ccc(CNC(=O)c2cccc(C(C)Oc3ccnc(NN4CCOCC4)c3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
The InChIKey is WSVHAALEDZEQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-19-6-8-21(9-7-19)18-28-26(31)23-5-3-4-22(16-23)20(2)33-24-10-11-27-25(17-24)29-30-12-14-32-15-13-30/h3-11,16-17,20H,12-15,18H2,1-2H3,(H,27,29)(H,28,31).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide?
N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[1-[[2-(morpholin-4-ylamino)-4-pyridinyl]oxy]ethyl]benzamide is sourced from PubChem (CID 141482502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).