2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide

C20H32N2O3 — CID 47005760

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)NC2CCCCC2C)c(OC)c1
InChIInChI=1S/C20H32N2O3/c1-14-8-6-7-9-18(14)21-20(23)15(2)22(3)13-16-10-11-17(24-4)12-19(16)25-5/h10-12,14-15,18H,6-9,13H2,1-5H3,(H,21,23)
InChIKeyGZGQMHWIMUNWRA-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.22
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide (PubChem CID 47005760) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
PubChem CID47005760
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)NC2CCCCC2C)c(OC)c1
InChIInChI=1S/C20H32N2O3/c1-14-8-6-7-9-18(14)21-20(23)15(2)22(3)13-16-10-11-17(24-4)12-19(16)25-5/h10-12,14-15,18H,6-9,13H2,1-5H3,(H,21,23)
InChIKeyGZGQMHWIMUNWRA-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8786326
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(2R)-N-(2,5-dichlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 2689350
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604
(2S)-2-(N-(2-chloroacetyl)-2,4-dimethoxyanilino)-2-(4-chlorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 99736633
(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9318759
(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
CID 9136796
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 11929484

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide (CID 47005760) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide is COc1ccc(CN(C)C(C)C(=O)NC2CCCCC2C)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is GZGQMHWIMUNWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14-8-6-7-9-18(14)21-20(23)15(2)22(3)13-16-10-11-17(24-4)12-19(16)25-5/h10-12,14-15,18H,6-9,13H2,1-5H3,(H,21,23).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 47005760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).