N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C23H29NO4 — CID 133199402

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCCC(NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-4-19(17-12-13-21(26-2)22(14-17)27-3)24-23(25)15-28-20-11-7-9-16-8-5-6-10-18(16)20/h7,9,11-14,19H,4-6,8,10,15H2,1-3H3,(H,24,25)
InChIKeyHFVVFGGQLXANGT-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.23
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 133199402) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID133199402
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCCC(NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-4-19(17-12-13-21(26-2)22(14-17)27-3)24-23(25)15-28-20-11-7-9-16-8-5-6-10-18(16)20/h7,9,11-14,19H,4-6,8,10,15H2,1-3H3,(H,24,25)
InChIKeyHFVVFGGQLXANGT-UHFFFAOYSA-N
XLogP4.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100681308
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220383
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100765455
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191470

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 133199402) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is CCC(NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is HFVVFGGQLXANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-19(17-12-13-21(26-2)22(14-17)27-3)24-23(25)15-28-20-11-7-9-16-8-5-6-10-18(16)20/h7,9,11-14,19H,4-6,8,10,15H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 383.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 133199402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).