3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide

C19H29NO3 — CID 112790503

IUPAC3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2CCCCC2)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-20(19(21)12-9-15-7-5-4-6-8-15)14-16-10-11-17(22-2)13-18(16)23-3/h10-11,13,15H,4-9,12,14H2,1-3H3
InChIKeyGJIZHUJISXYPPW-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.02
Rot. Bonds7

About 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide

3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 112790503) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
PubChem CID112790503
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2CCCCC2)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-20(19(21)12-9-15-7-5-4-6-8-15)14-16-10-11-17(22-2)13-18(16)23-3/h10-11,13,15H,4-9,12,14H2,1-3H3
InChIKeyGJIZHUJISXYPPW-UHFFFAOYSA-N
XLogP4.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 112790479
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2-methoxyphenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62212494
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide (CID 112790503) is 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)CCC2CCCCC2)c(OC)c1.
What is the InChIKey of 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is GJIZHUJISXYPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-20(19(21)12-9-15-7-5-4-6-8-15)14-16-10-11-17(22-2)13-18(16)23-3/h10-11,13,15H,4-9,12,14H2,1-3H3.
What are the key properties of 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 319.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 112790503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).