3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide

C15H24N2O2 — CID 63697515

IUPAC3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
SMILESCCOCCN(CC)C(=O)c1cccc(CCN)c1
InChIInChI=1S/C15H24N2O2/c1-3-17(10-11-19-4-2)15(18)14-7-5-6-13(12-14)8-9-16/h5-7,12H,3-4,8-11,16H2,1-2H3
InChIKeyROFYUGODNPRTDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds8

About 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide

3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide (PubChem CID 63697515) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
PubChem CID63697515
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
SMILESCCOCCN(CC)C(=O)c1cccc(CCN)c1
InChIInChI=1S/C15H24N2O2/c1-3-17(10-11-19-4-2)15(18)14-7-5-6-13(12-14)8-9-16/h5-7,12H,3-4,8-11,16H2,1-2H3
InChIKeyROFYUGODNPRTDE-UHFFFAOYSA-N
XLogP1.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-ethoxyethyl)-N-ethylbenzamide
CID 63718241
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903
3-[2-ethoxyethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 63691803
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
3-[2-[[ethyl(2-methoxyethyl)carbamoyl]amino]ethyl]benzoic acid
CID 63793879
methyl 3-(2-aminoethyl)benzoate
CID 10511548
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62592093

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide (CID 63697515) is 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide is CCOCCN(CC)C(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide?
The InChIKey is ROFYUGODNPRTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(10-11-19-4-2)15(18)14-7-5-6-13(12-14)8-9-16/h5-7,12H,3-4,8-11,16H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide?
3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide is sourced from PubChem (CID 63697515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).