4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide

C23H29NO3 — CID 133190652

IUPAC4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H29NO3/c1-17(19-10-9-18-6-3-4-7-20(18)16-19)24-23(25)8-5-15-27-22-13-11-21(26-2)12-14-22/h9-14,16-17H,3-8,15H2,1-2H3,(H,24,25)
InChIKeyOKLNKMQDXIAJOU-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.61
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide

4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide (PubChem CID 133190652) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
PubChem CID133190652
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H29NO3/c1-17(19-10-9-18-6-3-4-7-20(18)16-19)24-23(25)8-5-15-27-22-13-11-21(26-2)12-14-22/h9-14,16-17H,3-8,15H2,1-2H3,(H,24,25)
InChIKeyOKLNKMQDXIAJOU-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.61
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-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190913
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 24549283
1-[3-(4-methylphenoxy)propyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108881273
2-[4-(3-oxobutyl)phenoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55384339
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078024
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide (CID 133190652) is 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide is COc1ccc(OCCCC(=O)NC(C)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
The InChIKey is OKLNKMQDXIAJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(19-10-9-18-6-3-4-7-20(18)16-19)24-23(25)8-5-15-27-22-13-11-21(26-2)12-14-22/h9-14,16-17H,3-8,15H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
4-(4-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide has a molecular weight of 367.49 g/mol, XLogP of 4.61, 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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide is sourced from PubChem (CID 133190652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).