3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

C21H32N2O4 — CID 4827012

IUPAC3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(OC)c1C
InChIInChI=1S/C21H32N2O4/c1-16-18(25-2)13-17(14-19(16)26-3)20(24)22-15-21(7-5-4-6-8-21)23-9-11-27-12-10-23/h13-14H,4-12,15H2,1-3H3,(H,22,24)
InChIKeyGWBOACMHTMBVDU-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.78
Rot. Bonds6

About 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 4827012) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID4827012
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(OC)c1C
InChIInChI=1S/C21H32N2O4/c1-16-18(25-2)13-17(14-19(16)26-3)20(24)22-15-21(7-5-4-6-8-21)23-9-11-27-12-10-23/h13-14H,4-12,15H2,1-3H3,(H,22,24)
InChIKeyGWBOACMHTMBVDU-UHFFFAOYSA-N
XLogP2.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 4827012) is 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is GWBOACMHTMBVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16-18(25-2)13-17(14-19(16)26-3)20(24)22-15-21(7-5-4-6-8-21)23-9-11-27-12-10-23/h13-14H,4-12,15H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 4827012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).