3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide

C17H20N2O2 — CID 107734626

IUPAC3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)c1cccc(O)c1)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-12(13-6-8-14(18)9-7-13)10-17(21)19(2)15-4-3-5-16(20)11-15/h3-9,11-12,20H,10,18H2,1-2H3
InChIKeyPJLXKNJLNFPOSZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide

3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide (PubChem CID 107734626) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
PubChem CID107734626
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)c1cccc(O)c1)c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-12(13-6-8-14(18)9-7-13)10-17(21)19(2)15-4-3-5-16(20)11-15/h3-9,11-12,20H,10,18H2,1-2H3
InChIKeyPJLXKNJLNFPOSZ-UHFFFAOYSA-N
XLogP3.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
N-(3-hydroxyphenyl)-N-methylnonanamide
CID 107736082
3-(4-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 104502599

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide (CID 107734626) is 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide is CC(CC(=O)N(C)c1cccc(O)c1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide?
The InChIKey is PJLXKNJLNFPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(13-6-8-14(18)9-7-13)10-17(21)19(2)15-4-3-5-16(20)11-15/h3-9,11-12,20H,10,18H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide?
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide has a molecular weight of 284.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 107734626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).