2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide

C18H22N2O3 — CID 69214739

IUPAC2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide
SMILESCNC(=O)C(O)(Nc1ccccc1)C(C)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O3/c1-13(14-9-11-16(23-3)12-10-14)18(22,17(21)19-2)20-15-7-5-4-6-8-15/h4-13,20,22H,1-3H3,(H,19,21)
InChIKeyXERRDAWFZMJGLG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.35
Rot. Bonds6

About 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide

2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide (PubChem CID 69214739) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide
PubChem CID69214739
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide
SMILESCNC(=O)C(O)(Nc1ccccc1)C(C)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O3/c1-13(14-9-11-16(23-3)12-10-14)18(22,17(21)19-2)20-15-7-5-4-6-8-15/h4-13,20,22H,1-3H3,(H,19,21)
InChIKeyXERRDAWFZMJGLG-UHFFFAOYSA-N
XLogP2.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
CID 134955968
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
2-(4-methoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 82470540
2-anilino-3-chloro-2-hydroxybutanoic acid
CID 141010525
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
CID 91962586
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide?
The IUPAC name of 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide (CID 69214739) is 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide?
The canonical SMILES for 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide is CNC(=O)C(O)(Nc1ccccc1)C(C)c1ccc(OC)cc1.
What is the InChIKey of 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide?
The InChIKey is XERRDAWFZMJGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(14-9-11-16(23-3)12-10-14)18(22,17(21)19-2)20-15-7-5-4-6-8-15/h4-13,20,22H,1-3H3,(H,19,21).
What are the key properties of 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide?
2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide has a molecular weight of 314.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 69214739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).