N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide

C24H37NO2 — CID 138553616

IUPACN-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
SMILESCc1cccc(COC2CCC(C(C)C(=O)NC3(C)CCCCC3)CC2)c1
InChIInChI=1S/C24H37NO2/c1-18-8-7-9-20(16-18)17-27-22-12-10-21(11-13-22)19(2)23(26)25-24(3)14-5-4-6-15-24/h7-9,16,19,21-22H,4-6,10-15,17H2,1-3H3,(H,25,26)
InChIKeyOVRIOILYVOTQAC-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.55
Rot. Bonds6

About N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide

N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide (PubChem CID 138553616) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
PubChem CID138553616
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC NameN-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
SMILESCc1cccc(COC2CCC(C(C)C(=O)NC3(C)CCCCC3)CC2)c1
InChIInChI=1S/C24H37NO2/c1-18-8-7-9-20(16-18)17-27-22-12-10-21(11-13-22)19(2)23(26)25-24(3)14-5-4-6-15-24/h7-9,16,19,21-22H,4-6,10-15,17H2,1-3H3,(H,25,26)
InChIKeyOVRIOILYVOTQAC-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
CID 138553761
4-[(3-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807401
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442
cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
CID 141095179
N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
CID 113414232
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
cesium;carbanide;ethane;methyl 4-methyl-2-[(3-methylphenyl)methoxy]-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-carboxylate
CID 176937866
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
N-(1,4-dimethylcyclohexyl)-2-(3-methylphenyl)propanamide
CID 166211866
cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
CID 139473616

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
The IUPAC name of N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide (CID 138553616) is N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide.
What is the SMILES notation for N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
The canonical SMILES for N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide is Cc1cccc(COC2CCC(C(C)C(=O)NC3(C)CCCCC3)CC2)c1.
What is the InChIKey of N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
The InChIKey is OVRIOILYVOTQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-18-8-7-9-20(16-18)17-27-22-12-10-21(11-13-22)19(2)23(26)25-24(3)14-5-4-6-15-24/h7-9,16,19,21-22H,4-6,10-15,17H2,1-3H3,(H,25,26).
What are the key properties of N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide has a molecular weight of 371.57 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide is sourced from PubChem (CID 138553616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).