N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide

C13H18N2O2 — CID 103074266

IUPACN-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
SMILESC=C(CNC)COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(8-14-3)9-17-13-6-4-12(5-7-13)15-11(2)16/h4-7,14H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyGRIXCYACDTWEQE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.80
Rot. Bonds6

About N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide

N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide (PubChem CID 103074266) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
PubChem CID103074266
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
SMILESC=C(CNC)COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(8-14-3)9-17-13-6-4-12(5-7-13)15-11(2)16/h4-7,14H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyGRIXCYACDTWEQE-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066711
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
CID 107709367
N-[4-(2-oxopentoxy)phenyl]acetamide
CID 62041871
4-(4-acetamidophenoxy)-2-methylidenebutanoic acid
CID 159718269
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide (CID 103074266) is N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide is C=C(CNC)COc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide?
The InChIKey is GRIXCYACDTWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(8-14-3)9-17-13-6-4-12(5-7-13)15-11(2)16/h4-7,14H,1,8-9H2,2-3H3,(H,15,16).
What are the key properties of N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide?
N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide is sourced from PubChem (CID 103074266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).