N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide

C13H20N2O2 — CID 63754835

IUPACN-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCOCCN)c1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-11(2)12(9-10)13(16)15-6-8-17-7-5-14/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyNZYVJZPKAMGTAL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide

N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide (PubChem CID 63754835) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
PubChem CID63754835
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCCOCCN)c1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-11(2)12(9-10)13(16)15-6-8-17-7-5-14/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyNZYVJZPKAMGTAL-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
N-(3-amino-3-sulfanylidenepropyl)-2,5-dimethylbenzamide
CID 62668180
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide (CID 63754835) is N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCCOCCN)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide?
The InChIKey is NZYVJZPKAMGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-4-11(2)12(9-10)13(16)15-6-8-17-7-5-14/h3-4,9H,5-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide?
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 63754835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).