N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide

C19H23NO3 — CID 17034276

IUPACN-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H23NO3/c1-5-18(23-16-11-9-15(22-4)10-12-16)19(21)20-17-8-6-7-13(2)14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)
InChIKeyCFDKCVMFGXMUCO-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.11
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide

N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 17034276) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
PubChem CID17034276
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H23NO3/c1-5-18(23-16-11-9-15(22-4)10-12-16)19(21)20-17-8-6-7-13(2)14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)
InChIKeyCFDKCVMFGXMUCO-UHFFFAOYSA-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

(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide (CID 17034276) is N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide is CCC(Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
The InChIKey is CFDKCVMFGXMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-18(23-16-11-9-15(22-4)10-12-16)19(21)20-17-8-6-7-13(2)14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
N-(2,3-dimethylphenyl)-2-(4-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 N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 17034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).