(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide

C16H25NO4 — CID 94666737

IUPAC(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)N[C@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO4/c1-6-14(21-7-2)16(18)17-11(3)13-10-12(19-4)8-9-15(13)20-5/h8-11,14H,6-7H2,1-5H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyXOKXNBCOWOHMPH-RISCZKNCSA-N
MW295.38 g/mol
LogP2.70
Rot. Bonds8

About (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide

(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide (PubChem CID 94666737) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
PubChem CID94666737
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)N[C@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO4/c1-6-14(21-7-2)16(18)17-11(3)13-10-12(19-4)8-9-15(13)20-5/h8-11,14H,6-7H2,1-5H3,(H,17,18)/t11-,14+/m1/s1
InChIKeyXOKXNBCOWOHMPH-RISCZKNCSA-N
XLogP2.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133264453
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
2-butylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 134037876
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9477089
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide?
The IUPAC name of (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide (CID 94666737) is (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide is CCO[C@@H](CC)C(=O)N[C@H](C)c1cc(OC)ccc1OC.
What is the InChIKey of (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide?
The InChIKey is XOKXNBCOWOHMPH-RISCZKNCSA-N. The full InChI is InChI=1S/C16H25NO4/c1-6-14(21-7-2)16(18)17-11(3)13-10-12(19-4)8-9-15(13)20-5/h8-11,14H,6-7H2,1-5H3,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide?
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide has a molecular weight of 295.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide is sourced from PubChem (CID 94666737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).