N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide

C25H29NO3 — CID 133186578

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
SMILESCOc1cc(C)c(C(C)NC(=O)COc2cccc3ccccc23)cc1C(C)C
InChIInChI=1S/C25H29NO3/c1-16(2)21-14-22(17(3)13-24(21)28-5)18(4)26-25(27)15-29-23-12-8-10-19-9-6-7-11-20(19)23/h6-14,16,18H,15H2,1-5H3,(H,26,27)
InChIKeyRAEIBLAHEPQZRC-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.54
Rot. Bonds7

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 133186578) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
PubChem CID133186578
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
SMILESCOc1cc(C)c(C(C)NC(=O)COc2cccc3ccccc23)cc1C(C)C
InChIInChI=1S/C25H29NO3/c1-16(2)21-14-22(17(3)13-24(21)28-5)18(4)26-25(27)15-29-23-12-8-10-19-9-6-7-11-20(19)23/h6-14,16,18H,15H2,1-5H3,(H,26,27)
InChIKeyRAEIBLAHEPQZRC-UHFFFAOYSA-N
XLogP5.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92675059
2-(4-iodophenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217376
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
2-(2-hydroxyphenoxy)-N-(1-naphthalen-1-ylethyl)acetamide
CID 78777927
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186173
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide (CID 133186578) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide is COc1cc(C)c(C(C)NC(=O)COc2cccc3ccccc23)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is RAEIBLAHEPQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-16(2)21-14-22(17(3)13-24(21)28-5)18(4)26-25(27)15-29-23-12-8-10-19-9-6-7-11-20(19)23/h6-14,16,18H,15H2,1-5H3,(H,26,27).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 391.51 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 133186578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).