3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C18H27NO3 — CID 4794325

IUPAC3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCC2CCCCC2)cc1OC
InChIInChI=1S/C18H27NO3/c1-21-16-10-8-15(12-17(16)22-2)13-19-18(20)11-9-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,19,20)
InChIKeyOUNBJPZVGHXEDF-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.68
Rot. Bonds7

About 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide

3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 4794325) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID4794325
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCC2CCCCC2)cc1OC
InChIInChI=1S/C18H27NO3/c1-21-16-10-8-15(12-17(16)22-2)13-19-18(20)11-9-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,19,20)
InChIKeyOUNBJPZVGHXEDF-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556
4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 55656409
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
3-cyclohexyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide
CID 144669475
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751609
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N'-(3-cyclohexylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 24645321
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
CID 109028142
N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 51338440

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 4794325) is 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCC2CCCCC2)cc1OC.
What is the InChIKey of 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is OUNBJPZVGHXEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-21-16-10-8-15(12-17(16)22-2)13-19-18(20)11-9-14-6-4-3-5-7-14/h8,10,12,14H,3-7,9,11,13H2,1-2H3,(H,19,20).
What are the key properties of 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4794325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).