(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide

C14H20N2O2 — CID 115344482

IUPAC(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
SMILESCC(CCO)CNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-11(7-8-17)10-16-14(18)6-5-12-3-2-4-13(15)9-12/h2-6,9,11,17H,7-8,10,15H2,1H3,(H,16,18)/b6-5+
InChIKeyKTAHCMFDPMJXMJ-AATRIKPKSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds6

About (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide (PubChem CID 115344482) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
PubChem CID115344482
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
SMILESCC(CCO)CNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-11(7-8-17)10-16-14(18)6-5-12-3-2-4-13(15)9-12/h2-6,9,11,17H,7-8,10,15H2,1H3,(H,16,18)/b6-5+
InChIKeyKTAHCMFDPMJXMJ-AATRIKPKSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 115344698
(E)-3-(3-aminophenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 115344489
2-[[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]methyl]-3-methylbutanoic acid
CID 115344380
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 115343618
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106255530
3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112880
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112808
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 109380204

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide (CID 115344482) is (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide is CC(CCO)CNC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
The InChIKey is KTAHCMFDPMJXMJ-AATRIKPKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(7-8-17)10-16-14(18)6-5-12-3-2-4-13(15)9-12/h2-6,9,11,17H,7-8,10,15H2,1H3,(H,16,18)/b6-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide is sourced from PubChem (CID 115344482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).