(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide

C19H23NO4 — CID 94027504

IUPAC(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1
InChIInChI=1S/C19H23NO4/c1-4-18(24-17-11-7-9-15(13-17)22-3)19(21)20-14-8-6-10-16(12-14)23-5-2/h6-13,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyMOPDZKGIIUYZKY-SFHVURJKSA-N
MW329.40 g/mol
LogP3.89
Rot. Bonds8

About (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide

(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 94027504) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID94027504
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1
InChIInChI=1S/C19H23NO4/c1-4-18(24-17-11-7-9-15(13-17)22-3)19(21)20-14-8-6-10-16(12-14)23-5-2/h6-13,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyMOPDZKGIIUYZKY-SFHVURJKSA-N
XLogP3.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010633
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 92681503
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide (CID 94027504) is (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide is CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1.
What is the InChIKey of (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is MOPDZKGIIUYZKY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-18(24-17-11-7-9-15(13-17)22-3)19(21)20-14-8-6-10-16(12-14)23-5-2/h6-13,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide?
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide has a molecular weight of 329.40 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 94027504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).