4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide

C22H27NO3 — CID 46579063

IUPAC4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27NO3/c1-25-19-11-13-20(14-12-19)26-15-5-10-22(24)23-16-18-8-4-7-17-6-2-3-9-21(17)18/h2-3,6,9,11-14,18H,4-5,7-8,10,15-16H2,1H3,(H,23,24)
InChIKeyVZESFEMSPNADKA-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.09
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide

4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide (PubChem CID 46579063) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
PubChem CID46579063
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NCC2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27NO3/c1-25-19-11-13-20(14-12-19)26-15-5-10-22(24)23-16-18-8-4-7-17-6-2-3-9-21(17)18/h2-3,6,9,11-14,18H,4-5,7-8,10,15-16H2,1H3,(H,23,24)
InChIKeyVZESFEMSPNADKA-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 4877490
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46666191
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 166351622
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide (CID 46579063) is 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide is COc1ccc(OCCCC(=O)NCC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide?
The InChIKey is VZESFEMSPNADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-19-11-13-20(14-12-19)26-15-5-10-22(24)23-16-18-8-4-7-17-6-2-3-9-21(17)18/h2-3,6,9,11-14,18H,4-5,7-8,10,15-16H2,1H3,(H,23,24).
What are the key properties of 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide?
4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide has a molecular weight of 353.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide is sourced from PubChem (CID 46579063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).