3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

C24H33N3O4 — CID 46581199

IUPAC3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2CN(CC(C)C)CCO2)ccc1OCc1cccnc1
InChIInChI=1S/C24H33N3O4/c1-4-29-23-12-20(7-8-22(23)31-17-19-6-5-9-25-13-19)24(28)26-14-21-16-27(10-11-30-21)15-18(2)3/h5-9,12-13,18,21H,4,10-11,14-17H2,1-3H3,(H,26,28)
InChIKeyGGOIFPRQHIGNGZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.15
Rot. Bonds10

About 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46581199) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46581199
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2CN(CC(C)C)CCO2)ccc1OCc1cccnc1
InChIInChI=1S/C24H33N3O4/c1-4-29-23-12-20(7-8-22(23)31-17-19-6-5-9-25-13-19)24(28)26-14-21-16-27(10-11-30-21)15-18(2)3/h5-9,12-13,18,21H,4,10-11,14-17H2,1-3H3,(H,26,28)
InChIKeyGGOIFPRQHIGNGZ-UHFFFAOYSA-N
XLogP3.15
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
(2S)-4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125120497
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-ethoxy-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55682964
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111369526
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 46581199) is 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC2CN(CC(C)C)CCO2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is GGOIFPRQHIGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-4-29-23-12-20(7-8-22(23)31-17-19-6-5-9-25-13-19)24(28)26-14-21-16-27(10-11-30-21)15-18(2)3/h5-9,12-13,18,21H,4,10-11,14-17H2,1-3H3,(H,26,28).
What are the key properties of 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 427.55 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46581199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).