N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C23H29NO3 — CID 133234673

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCCc1ccc(OCCNC(=O)C(C)Oc2cccc3c2CCCC3)cc1
InChIInChI=1S/C23H29NO3/c1-3-18-11-13-20(14-12-18)26-16-15-24-23(25)17(2)27-22-10-6-8-19-7-4-5-9-21(19)22/h6,8,10-14,17H,3-5,7,9,15-16H2,1-2H3,(H,24,25)
InChIKeyYYXMFEBUEPDXDH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.09
Rot. Bonds8

About N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133234673) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133234673
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCCc1ccc(OCCNC(=O)C(C)Oc2cccc3c2CCCC3)cc1
InChIInChI=1S/C23H29NO3/c1-3-18-11-13-20(14-12-18)26-16-15-24-23(25)17(2)27-22-10-6-8-19-7-4-5-9-21(19)22/h6,8,10-14,17H,3-5,7,9,15-16H2,1-2H3,(H,24,25)
InChIKeyYYXMFEBUEPDXDH-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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

N-[2-(4-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133164804
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100502077
N-[2-(4-ethylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133164555
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133234673) is N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CCc1ccc(OCCNC(=O)C(C)Oc2cccc3c2CCCC3)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is YYXMFEBUEPDXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-18-11-13-20(14-12-18)26-16-15-24-23(25)17(2)27-22-10-6-8-19-7-4-5-9-21(19)22/h6,8,10-14,17H,3-5,7,9,15-16H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 367.49 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 N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133234673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).