N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide

C14H20N2O2 — CID 66385443

IUPACN-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
SMILESC=COCCCNCc1ccccc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-3-18-10-6-9-15-11-13-7-4-5-8-14(13)16-12(2)17/h3-5,7-8,15H,1,6,9-11H2,2H3,(H,16,17)
InChIKeyDBUKSPRAGCZTGQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds8

About N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide

N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide (PubChem CID 66385443) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
PubChem CID66385443
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
SMILESC=COCCCNCc1ccccc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-3-18-10-6-9-15-11-13-7-4-5-8-14(13)16-12(2)17/h3-5,7-8,15H,1,6,9-11H2,2H3,(H,16,17)
InChIKeyDBUKSPRAGCZTGQ-UHFFFAOYSA-N
XLogP2.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
N-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea
CID 21365399
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 28725701
2-[5-[(3-ethenoxypropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894996
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide (CID 66385443) is N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide is C=COCCCNCc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide?
The InChIKey is DBUKSPRAGCZTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-10-6-9-15-11-13-7-4-5-8-14(13)16-12(2)17/h3-5,7-8,15H,1,6,9-11H2,2H3,(H,16,17).
What are the key properties of N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide?
N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66385443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).