N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide

C12H16N2O2 — CID 170488443

IUPACN-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc(N)c1O
InChIInChI=1S/C12H16N2O2/c1-9(15)14-8-3-2-5-10-6-4-7-11(13)12(10)16/h2,4-7,16H,3,8,13H2,1H3,(H,14,15)
InChIKeyVDZQXWNQDINVCP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.51
Rot. Bonds4

About N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide

N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide (PubChem CID 170488443) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
PubChem CID170488443
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc(N)c1O
InChIInChI=1S/C12H16N2O2/c1-9(15)14-8-3-2-5-10-6-4-7-11(13)12(10)16/h2,4-7,16H,3,8,13H2,1H3,(H,14,15)
InChIKeyVDZQXWNQDINVCP-UHFFFAOYSA-N
XLogP1.51
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-6-fluorophenyl)but-3-enyl]acetamide
CID 170488365
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(4-amino-2,3-difluorophenyl)but-3-enyl]acetamide
CID 170488730
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
3-(4-acetamidobut-1-enyl)-2-methylbenzoic acid
CID 170488958
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
N-[4-(4-amino-2,5-dimethylphenyl)but-3-enyl]acetamide
CID 170488702
N-[4-[2-(methylsulfonylmethyl)phenyl]but-3-enyl]acetamide
CID 170489195
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
N-[4-(1H-indol-7-yl)but-3-enyl]acetamide
CID 170488819

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide (CID 170488443) is N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cccc(N)c1O.
What is the InChIKey of N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide?
The InChIKey is VDZQXWNQDINVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)14-8-3-2-5-10-6-4-7-11(13)12(10)16/h2,4-7,16H,3,8,13H2,1H3,(H,14,15).
What are the key properties of N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide?
N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).