3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide

C22H27NO3 — CID 46568284

IUPAC3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C22H27NO3/c1-25-20-12-10-16(14-21(20)26-2)11-13-22(24)23-15-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9-10,12,14,18H,5,7-8,11,13,15H2,1-2H3,(H,23,24)
InChIKeyFOFMSPNPCURGPN-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.87
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide (PubChem CID 46568284) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
PubChem CID46568284
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C22H27NO3/c1-25-20-12-10-16(14-21(20)26-2)11-13-22(24)23-15-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9-10,12,14,18H,5,7-8,11,13,15H2,1-2H3,(H,23,24)
InChIKeyFOFMSPNPCURGPN-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
CID 46579063
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110636033
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 166351622
4-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoylamino)benzamide
CID 86994987
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide (CID 46568284) is 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide is COc1ccc(CCC(=O)NCC2CCCc3ccccc32)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide?
The InChIKey is FOFMSPNPCURGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-20-12-10-16(14-21(20)26-2)11-13-22(24)23-15-18-8-5-7-17-6-3-4-9-19(17)18/h3-4,6,9-10,12,14,18H,5,7-8,11,13,15H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide has a molecular weight of 353.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 46568284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).