N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide

C13H18N2O3 — CID 166794523

IUPACN-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide
SMILESCOC(C(=O)NCC=CCN)c1cccc(O)c1
InChIInChI=1S/C13H18N2O3/c1-18-12(10-5-4-6-11(16)9-10)13(17)15-8-3-2-7-14/h2-6,9,12,16H,7-8,14H2,1H3,(H,15,17)
InChIKeyGGTKKPRPINBPCE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds6

About N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide

N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide (PubChem CID 166794523) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide
PubChem CID166794523
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide
SMILESCOC(C(=O)NCC=CCN)c1cccc(O)c1
InChIInChI=1S/C13H18N2O3/c1-18-12(10-5-4-6-11(16)9-10)13(17)15-8-3-2-7-14/h2-6,9,12,16H,7-8,14H2,1H3,(H,15,17)
InChIKeyGGTKKPRPINBPCE-UHFFFAOYSA-N
XLogP0.71
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide 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

1-(3-hydroxyphenyl)-1-methoxybutan-2-one
CID 83226773
[(1S)-1-phenylethyl] N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899526
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533
3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253
[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate
CID 139251059
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
CID 106308008
methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
CID 105467363
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
CID 60589103

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide (CID 166794523) is N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide is COC(C(=O)NCC=CCN)c1cccc(O)c1.
What is the InChIKey of N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide?
The InChIKey is GGTKKPRPINBPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12(10-5-4-6-11(16)9-10)13(17)15-8-3-2-7-14/h2-6,9,12,16H,7-8,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide?
N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide is sourced from PubChem (CID 166794523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).