(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide

C19H23NO3 — CID 42082545

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23NO3/c1-5-18(23-16-10-8-15(22-4)9-11-16)19(21)20-17-12-13(2)6-7-14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeySTHIEXGXWSSHGF-GOSISDBHSA-N
MW313.40 g/mol
LogP4.11
Rot. Bonds6

About (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide

(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 42082545) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
PubChem CID42082545
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C19H23NO3/c1-5-18(23-16-10-8-15(22-4)9-11-16)19(21)20-17-12-13(2)6-7-14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeySTHIEXGXWSSHGF-GOSISDBHSA-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

(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 94013147
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide (CID 42082545) is (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide is CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
The InChIKey is STHIEXGXWSSHGF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-18(23-16-10-8-15(22-4)9-11-16)19(21)20-17-12-13(2)6-7-14(17)3/h6-12,18H,5H2,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide?
(2R)-N-(2,5-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 (2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 42082545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).