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

C11H16N2O2 — CID 82113079

IUPAC4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
SMILESCNC(=O)CCC(O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-13-11(15)6-5-10(14)8-3-2-4-9(12)7-8/h2-4,7,10,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyAXQMAXKJAMEHNS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds4

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

4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 82113079) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
PubChem CID82113079
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
SMILESCNC(=O)CCC(O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-13-11(15)6-5-10(14)8-3-2-4-9(12)7-8/h2-4,7,10,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyAXQMAXKJAMEHNS-UHFFFAOYSA-N
XLogP0.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4,4-diphenylbutanamide
CID 125470248
[3-(3-aminophenyl)-1,1-dideuterio-3-hydroxypropyl]carbamic acid
CID 90894433
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
CID 82135880
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
2-(3-aminophenyl)propanoate
CID 71650577
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide (CID 82113079) is 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide is CNC(=O)CCC(O)c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is AXQMAXKJAMEHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-11(15)6-5-10(14)8-3-2-4-9(12)7-8/h2-4,7,10,14H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide?
4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 208.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 82113079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).