(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

C20H25NO3 — CID 94013147

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H25NO3/c1-6-18(24-16-9-8-14(3)15(4)12-16)20(22)21-17-11-13(2)7-10-19(17)23-5/h7-12,18H,6H2,1-5H3,(H,21,22)/t18-/m0/s1
InChIKeySWGNURBJBFWIIQ-SFHVURJKSA-N
MW327.42 g/mol
LogP4.42
Rot. Bonds6

About (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 94013147) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID94013147
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H25NO3/c1-6-18(24-16-9-8-14(3)15(4)12-16)20(22)21-17-11-13(2)7-10-19(17)23-5/h7-12,18H,6H2,1-5H3,(H,21,22)/t18-/m0/s1
InChIKeySWGNURBJBFWIIQ-SFHVURJKSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28576208
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (CID 94013147) is (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is SWGNURBJBFWIIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO3/c1-6-18(24-16-9-8-14(3)15(4)12-16)20(22)21-17-11-13(2)7-10-19(17)23-5/h7-12,18H,6H2,1-5H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 94013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).