N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane

C16H28N2O3 — CID 143583879

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
SMILESCC.Cc1ccc(C(=O)NCCOCCOCCN)cc1
InChIInChI=1S/C14H22N2O3.C2H6/c1-12-2-4-13(5-3-12)14(17)16-7-9-19-11-10-18-8-6-15;1-2/h2-5H,6-11,15H2,1H3,(H,16,17);1-2H3
InChIKeyIDAAAACPNUMTRZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.74
Rot. Bonds9

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane (PubChem CID 143583879) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
PubChem CID143583879
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
SMILESCC.Cc1ccc(C(=O)NCCOCCOCCN)cc1
InChIInChI=1S/C14H22N2O3.C2H6/c1-12-2-4-13(5-3-12)14(17)16-7-9-19-11-10-18-8-6-15;1-2/h2-5H,6-11,15H2,1H3,(H,16,17);1-2H3
InChIKeyIDAAAACPNUMTRZ-UHFFFAOYSA-N
XLogP1.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite
CID 144680353
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707
4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane (CID 143583879) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane is CC.Cc1ccc(C(=O)NCCOCCOCCN)cc1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane?
The InChIKey is IDAAAACPNUMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.C2H6/c1-12-2-4-13(5-3-12)14(17)16-7-9-19-11-10-18-8-6-15;1-2/h2-5H,6-11,15H2,1H3,(H,16,17);1-2H3.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane has a molecular weight of 296.41 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane is sourced from PubChem (CID 143583879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).