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

C20H32N2O3 — CID 110279159

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCCC2CN(C)C)cc1OC
InChIInChI=1S/C20H32N2O3/c1-22(2)14-16-7-5-6-8-17(16)21-20(23)12-10-15-9-11-18(24-3)19(13-15)25-4/h9,11,13,16-17H,5-8,10,12,14H2,1-4H3,(H,21,23)
InChIKeyMFWYWDPVOZRSHT-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.87
Rot. Bonds8

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

3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide (PubChem CID 110279159) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
PubChem CID110279159
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCCC2CN(C)C)cc1OC
InChIInChI=1S/C20H32N2O3/c1-22(2)14-16-7-5-6-8-17(16)21-20(23)12-10-15-9-11-18(24-3)19(13-15)25-4/h9,11,13,16-17H,5-8,10,12,14H2,1-4H3,(H,21,23)
InChIKeyMFWYWDPVOZRSHT-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43063113
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide (CID 110279159) is 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide is COc1ccc(CCC(=O)NC2CCCCC2CN(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide?
The InChIKey is MFWYWDPVOZRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-22(2)14-16-7-5-6-8-17(16)21-20(23)12-10-15-9-11-18(24-3)19(13-15)25-4/h9,11,13,16-17H,5-8,10,12,14H2,1-4H3,(H,21,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide is sourced from PubChem (CID 110279159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).