(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide

C19H23NO3 — CID 41228638

IUPAC(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
SMILESCCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-4-18(23-16-11-9-14(3)10-12-16)19(21)20-15-7-6-8-17(13-15)22-5-2/h6-13,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyJEKRTSCMXIJJRU-SFHVURJKSA-N
MW313.40 g/mol
LogP4.19
Rot. Bonds7

About (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide

(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide (PubChem CID 41228638) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
PubChem CID41228638
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
SMILESCCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3/c1-4-18(23-16-11-9-14(3)10-12-16)19(21)20-15-7-6-8-17(13-15)22-5-2/h6-13,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyJEKRTSCMXIJJRU-SFHVURJKSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide (CID 41228638) is (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide is CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1.
What is the InChIKey of (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is JEKRTSCMXIJJRU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-18(23-16-11-9-14(3)10-12-16)19(21)20-15-7-6-8-17(13-15)22-5-2/h6-13,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide?
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 313.40 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 41228638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).