N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide

C22H27NO4 — CID 91016522

IUPACN-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
SMILESCOc1cccc(OCc2ccccc2C(=O)NC2CCCCC2)c1OC
InChIInChI=1S/C22H27NO4/c1-25-19-13-8-14-20(21(19)26-2)27-15-16-9-6-7-12-18(16)22(24)23-17-10-4-3-5-11-17/h6-9,12-14,17H,3-5,10-11,15H2,1-2H3,(H,23,24)
InChIKeyRSZDXJDTEWFOIK-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.35
Rot. Bonds7

About N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide

N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide (PubChem CID 91016522) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
PubChem CID91016522
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC NameN-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
SMILESCOc1cccc(OCc2ccccc2C(=O)NC2CCCCC2)c1OC
InChIInChI=1S/C22H27NO4/c1-25-19-13-8-14-20(21(19)26-2)27-15-16-9-6-7-12-18(16)22(24)23-17-10-4-3-5-11-17/h6-9,12-14,17H,3-5,10-11,15H2,1-2H3,(H,23,24)
InChIKeyRSZDXJDTEWFOIK-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
N-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 17320235
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide?
The IUPAC name of N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide (CID 91016522) is N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide is COc1cccc(OCc2ccccc2C(=O)NC2CCCCC2)c1OC.
What is the InChIKey of N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide?
The InChIKey is RSZDXJDTEWFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-25-19-13-8-14-20(21(19)26-2)27-15-16-9-6-7-12-18(16)22(24)23-17-10-4-3-5-11-17/h6-9,12-14,17H,3-5,10-11,15H2,1-2H3,(H,23,24).
What are the key properties of N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide?
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 91016522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).