(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide

C20H25NO4 — CID 92676257

IUPAC(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-18(25-17-11-8-10-16(13-17)23-3)20(22)21-14-15-9-6-7-12-19(15)24-5-2/h6-13,18H,4-5,14H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyBIJNIZKOGXPUFC-SFHVURJKSA-N
MW343.42 g/mol
LogP3.57
Rot. Bonds9

About (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide

(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 92676257) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID92676257
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-18(25-17-11-8-10-16(13-17)23-3)20(22)21-14-15-9-6-7-12-19(15)24-5-2/h6-13,18H,4-5,14H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyBIJNIZKOGXPUFC-SFHVURJKSA-N
XLogP3.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide (CID 92676257) is (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide is CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc(OC)c1.
What is the InChIKey of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is BIJNIZKOGXPUFC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-18(25-17-11-8-10-16(13-17)23-3)20(22)21-14-15-9-6-7-12-19(15)24-5-2/h6-13,18H,4-5,14H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 343.42 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 92676257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).