2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide

C15H24N2O2 — CID 106591538

IUPAC2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-4-15(19,5-2)10-17-14(18)11(3)12-7-6-8-13(16)9-12/h6-9,11,19H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyZTRJQIZIFPDLRV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds6

About 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide

2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide (PubChem CID 106591538) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
PubChem CID106591538
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
SMILESCCC(O)(CC)CNC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-4-15(19,5-2)10-17-14(18)11(3)12-7-6-8-13(16)9-12/h6-9,11,19H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyZTRJQIZIFPDLRV-UHFFFAOYSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
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

2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107864338
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
CID 106591217
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide (CID 106591538) is 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide is CCC(O)(CC)CNC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
The InChIKey is ZTRJQIZIFPDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(19,5-2)10-17-14(18)11(3)12-7-6-8-13(16)9-12/h6-9,11,19H,4-5,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide?
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide is sourced from PubChem (CID 106591538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).