(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide

C19H23NO3 — CID 93488485

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H23NO3/c1-5-18(23-16-10-7-9-15(12-16)22-4)19(21)20-17-11-6-8-13(2)14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyIPXCLGSEXJQKOO-SFHVURJKSA-N
MW313.40 g/mol
LogP4.11
Rot. Bonds6

About (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide

(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 93488485) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID93488485
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H23NO3/c1-5-18(23-16-10-7-9-15(12-16)22-4)19(21)20-17-11-6-8-13(2)14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)/t18-/m0/s1
InChIKeyIPXCLGSEXJQKOO-SFHVURJKSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132761053
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide (CID 93488485) is (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide is CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is IPXCLGSEXJQKOO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-18(23-16-10-7-9-15(12-16)22-4)19(21)20-17-11-6-8-13(2)14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide?
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide has a molecular weight of 313.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 93488485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).