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

C20H30N2O4 — CID 2469885

IUPAC3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C20H30N2O4/c1-24-17-12-16(13-18(14-17)25-2)19(23)21-15-20(6-4-3-5-7-20)22-8-10-26-11-9-22/h12-14H,3-11,15H2,1-2H3,(H,21,23)
InChIKeyMKAZHEHOMWFHQT-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.47
Rot. Bonds6

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

3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 2469885) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID2469885
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C20H30N2O4/c1-24-17-12-16(13-18(14-17)25-2)19(23)21-15-20(6-4-3-5-7-20)22-8-10-26-11-9-22/h12-14H,3-11,15H2,1-2H3,(H,21,23)
InChIKeyMKAZHEHOMWFHQT-UHFFFAOYSA-N
XLogP2.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethobenzamide
CID 5577
Troxipide
CID 5597
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Opiranserin
CID 71566778
Carbamic acid, (1,1-dimethylethyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 457881
Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 460131
Carbamic acid, (2,2-dimethylpropyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 462400
Carbamic acid, butyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 3013157
Hexanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 3075902
2-Piperazinemethanol, 1,4-bis(3,4,5-trimethoxybenzoyl)-, acetate (ester)
CID 3075903
Carbamic acid, (1-ethylpropyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
CID 3075905

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 2469885) is 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is MKAZHEHOMWFHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-24-17-12-16(13-18(14-17)25-2)19(23)21-15-20(6-4-3-5-7-20)22-8-10-26-11-9-22/h12-14H,3-11,15H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 362.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2469885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).