(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide

C19H24N2O3 — CID 70976319

IUPAC(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide
SMILESCOc1cc(Oc2ccc(N[C@@H](C(N)=O)C(C)C)cc2)ccc1C
InChIInChI=1S/C19H24N2O3/c1-12(2)18(19(20)22)21-14-6-9-15(10-7-14)24-16-8-5-13(3)17(11-16)23-4/h5-12,18,21H,1-4H3,(H2,20,22)/t18-/m1/s1
InChIKeyWGZDLJVSDJOBFW-GOSISDBHSA-N
MW328.41 g/mol
LogP3.72
Rot. Bonds7

About (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide

(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide (PubChem CID 70976319) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide
PubChem CID70976319
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide
SMILESCOc1cc(Oc2ccc(N[C@@H](C(N)=O)C(C)C)cc2)ccc1C
InChIInChI=1S/C19H24N2O3/c1-12(2)18(19(20)22)21-14-6-9-15(10-7-14)24-16-8-5-13(3)17(11-16)23-4/h5-12,18,21H,1-4H3,(H2,20,22)/t18-/m1/s1
InChIKeyWGZDLJVSDJOBFW-GOSISDBHSA-N
XLogP3.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
3-ethyl-2-(4-methoxyanilino)pentanamide
CID 61317708
2-(4-methoxyanilino)-3,5-dimethylhexanamide
CID 114200888
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide?
The IUPAC name of (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide (CID 70976319) is (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide?
The canonical SMILES for (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide is COc1cc(Oc2ccc(N[C@@H](C(N)=O)C(C)C)cc2)ccc1C.
What is the InChIKey of (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide?
The InChIKey is WGZDLJVSDJOBFW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)18(19(20)22)21-14-6-9-15(10-7-14)24-16-8-5-13(3)17(11-16)23-4/h5-12,18,21H,1-4H3,(H2,20,22)/t18-/m1/s1.
What are the key properties of (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide?
(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide has a molecular weight of 328.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide is sourced from PubChem (CID 70976319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).