N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide

C12H16N2O2 — CID 169465555

IUPACN-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1cc(N)ccc1C=CCNC(C)=O
InChIInChI=1S/C12H16N2O2/c1-9(15)14-7-3-4-10-5-6-11(13)8-12(10)16-2/h3-6,8H,7,13H2,1-2H3,(H,14,15)
InChIKeyIGQTZKLTSISKEF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.43
Rot. Bonds4

About N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide

N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide (PubChem CID 169465555) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
PubChem CID169465555
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1cc(N)ccc1C=CCNC(C)=O
InChIInChI=1S/C12H16N2O2/c1-9(15)14-7-3-4-10-5-6-11(13)8-12(10)16-2/h3-6,8H,7,13H2,1-2H3,(H,14,15)
InChIKeyIGQTZKLTSISKEF-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide
CID 169465434
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
CID 169466328
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
9H-fluoren-9-ylmethyl N-[4-(4-amino-2-methoxyphenyl)but-3-enyl]carbamate
CID 170492355
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
methyl 4-(3-acetamidoprop-1-enyl)-2-aminobenzoate
CID 169466105
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide (CID 169465555) is N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide is COc1cc(N)ccc1C=CCNC(C)=O.
What is the InChIKey of N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is IGQTZKLTSISKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)14-7-3-4-10-5-6-11(13)8-12(10)16-2/h3-6,8H,7,13H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide?
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).