2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide

C12H19N3O2 — CID 43373771

IUPAC2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(N)cc1CN(C)CC(N)=O
InChIInChI=1S/C12H19N3O2/c1-3-17-11-5-4-10(13)6-9(11)7-15(2)8-12(14)16/h4-6H,3,7-8,13H2,1-2H3,(H2,14,16)
InChIKeyFKYOBWDDECMWLC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.58
Rot. Bonds6

About 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide

2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 43373771) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID43373771
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(N)cc1CN(C)CC(N)=O
InChIInChI=1S/C12H19N3O2/c1-3-17-11-5-4-10(13)6-9(11)7-15(2)8-12(14)16/h4-6H,3,7-8,13H2,1-2H3,(H2,14,16)
InChIKeyFKYOBWDDECMWLC-UHFFFAOYSA-N
XLogP0.58
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43574952
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethoxyaniline
CID 55007073
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
4-[(5-amino-2-ethoxyphenyl)methyl-methylamino]benzonitrile
CID 62970763

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide (CID 43373771) is 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(N)cc1CN(C)CC(N)=O.
What is the InChIKey of 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is FKYOBWDDECMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-11-5-4-10(13)6-9(11)7-15(2)8-12(14)16/h4-6H,3,7-8,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide?
2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 43373771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).