(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide

C20H25NO2 — CID 92685651

IUPAC(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-18-13-7-8-14-19(18)23-16(2)20(22)21-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyFMVFDMJSBKGVDO-INIZCTEOSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds8

About (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide

(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide (PubChem CID 92685651) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
PubChem CID92685651
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-3-18-13-7-8-14-19(18)23-16(2)20(22)21-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyFMVFDMJSBKGVDO-INIZCTEOSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
(2R)-2-(2-ethylphenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 38000919
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide (CID 92685651) is (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide is CCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide?
The InChIKey is FMVFDMJSBKGVDO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-18-13-7-8-14-19(18)23-16(2)20(22)21-15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide?
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 92685651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).