3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide

C18H27NO3 — CID 51726082

IUPAC3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
SMILESCOCc1cccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C18H27NO3/c1-14-6-3-4-9-17(14)22-11-10-19-18(20)16-8-5-7-15(12-16)13-21-2/h5,7-8,12,14,17H,3-4,6,9-11,13H2,1-2H3,(H,19,20)/t14-,17+/m1/s1
InChIKeyHWIDVVGLWNINEZ-PBHICJAKSA-N
MW305.42 g/mol
LogP3.16
Rot. Bonds7

About 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide

3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide (PubChem CID 51726082) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
PubChem CID51726082
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
SMILESCOCc1cccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1
InChIInChI=1S/C18H27NO3/c1-14-6-3-4-9-17(14)22-11-10-19-18(20)16-8-5-7-15(12-16)13-21-2/h5,7-8,12,14,17H,3-4,6,9-11,13H2,1-2H3,(H,19,20)/t14-,17+/m1/s1
InChIKeyHWIDVVGLWNINEZ-PBHICJAKSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 95904490
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55717357
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
CID 9327271
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 51948594

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide (CID 51726082) is 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide is COCc1cccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide?
The InChIKey is HWIDVVGLWNINEZ-PBHICJAKSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-6-3-4-9-17(14)22-11-10-19-18(20)16-8-5-7-15(12-16)13-21-2/h5,7-8,12,14,17H,3-4,6,9-11,13H2,1-2H3,(H,19,20)/t14-,17+/m1/s1.
What are the key properties of 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide?
3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide is sourced from PubChem (CID 51726082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).