N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide

C14H22N2O2 — CID 63756094

IUPACN-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCOCCN)c1
InChIInChI=1S/C14H22N2O2/c1-11-3-4-12(2)13(9-11)10-14(17)16-6-8-18-7-5-15/h3-4,9H,5-8,10,15H2,1-2H3,(H,16,17)
InChIKeyJKOIAONABQFCQH-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.94
Rot. Bonds7

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

N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 63756094) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID63756094
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCCOCCN)c1
InChIInChI=1S/C14H22N2O2/c1-11-3-4-12(2)13(9-11)10-14(17)16-6-8-18-7-5-15/h3-4,9H,5-8,10,15H2,1-2H3,(H,16,17)
InChIKeyJKOIAONABQFCQH-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.94
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

2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
CID 79468988
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide (CID 63756094) is N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NCCOCCN)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is JKOIAONABQFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-3-4-12(2)13(9-11)10-14(17)16-6-8-18-7-5-15/h3-4,9H,5-8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide?
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 0.94, 7 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 63756094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).