2-amino-N-(2-ethoxyethyl)-5-methylbenzamide

C12H18N2O2 — CID 62074208

IUPAC2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
SMILESCCOCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C12H18N2O2/c1-3-16-7-6-14-12(15)10-8-9(2)4-5-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyYENJXGZULIOSCL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds5

About 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide

2-amino-N-(2-ethoxyethyl)-5-methylbenzamide (PubChem CID 62074208) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
PubChem CID62074208
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
SMILESCCOCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C12H18N2O2/c1-3-16-7-6-14-12(15)10-8-9(2)4-5-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyYENJXGZULIOSCL-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide (CID 62074208) is 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide is CCOCCNC(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide?
The InChIKey is YENJXGZULIOSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-16-7-6-14-12(15)10-8-9(2)4-5-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-ethoxyethyl)-5-methylbenzamide?
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.34, 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-ethoxyethyl)-5-methylbenzamide is sourced from PubChem (CID 62074208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).