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

C14H22N2O2 — CID 63690620

IUPAC2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
SMILESCCOCCN(CC)C(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-4-16(8-9-18-5-2)14(17)12-10-11(3)6-7-13(12)15/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyJCDLCLMEFMNQKZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds6

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

2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide (PubChem CID 63690620) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
PubChem CID63690620
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
SMILESCCOCCN(CC)C(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H22N2O2/c1-4-16(8-9-18-5-2)14(17)12-10-11(3)6-7-13(12)15/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyJCDLCLMEFMNQKZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
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-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide (CID 63690620) is 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide is CCOCCN(CC)C(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide?
The InChIKey is JCDLCLMEFMNQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(8-9-18-5-2)14(17)12-10-11(3)6-7-13(12)15/h6-7,10H,4-5,8-9,15H2,1-3H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide?
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide is sourced from PubChem (CID 63690620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).