3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

C22H34N2O4 — CID 35762390

IUPAC3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OCC
InChIInChI=1S/C22H34N2O4/c1-3-27-19-9-8-18(16-20(19)28-4-2)21(25)23-17-22(10-6-5-7-11-22)24-12-14-26-15-13-24/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,23,25)
InChIKeyBPHGOBNDIRFPPH-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.25
Rot. Bonds8

About 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 35762390) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID35762390
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OCC
InChIInChI=1S/C22H34N2O4/c1-3-27-19-9-8-18(16-20(19)28-4-2)21(25)23-17-22(10-6-5-7-11-22)24-12-14-26-15-13-24/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,23,25)
InChIKeyBPHGOBNDIRFPPH-UHFFFAOYSA-N
XLogP3.25
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
2-ethoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]naphthalene-1-carboxamide
CID 139028044
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
CID 20994940
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 35762390) is 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is BPHGOBNDIRFPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-3-27-19-9-8-18(16-20(19)28-4-2)21(25)23-17-22(10-6-5-7-11-22)24-12-14-26-15-13-24/h8-9,16H,3-7,10-15,17H2,1-2H3,(H,23,25).
What are the key properties of 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 390.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 35762390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).