2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide

C12H18N2O2 — CID 119326320

IUPAC2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)CN)ccc1C
InChIInChI=1S/C12H18N2O2/c1-9-3-4-10(7-11(9)16-2)5-6-14-12(15)8-13/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyDJEMSIIUMIUWFU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.62
Rot. Bonds5

About 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide

2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide (PubChem CID 119326320) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
PubChem CID119326320
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)CN)ccc1C
InChIInChI=1S/C12H18N2O2/c1-9-3-4-10(7-11(9)16-2)5-6-14-12(15)8-13/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyDJEMSIIUMIUWFU-UHFFFAOYSA-N
XLogP0.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668542
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111459315
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide (CID 119326320) is 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide is COc1cc(CCNC(=O)CN)ccc1C.
What is the InChIKey of 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide?
The InChIKey is DJEMSIIUMIUWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-3-4-10(7-11(9)16-2)5-6-14-12(15)8-13/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide?
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 119326320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).