5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide

C18H22N2O2 — CID 120630743

IUPAC5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCCOc1ccccc1CCNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C18H22N2O2/c1-3-22-17-7-5-4-6-14(17)10-11-20-18(21)16-12-15(19)9-8-13(16)2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKeyHSMLHQLFHYSGPK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds6

About 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide

5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide (PubChem CID 120630743) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
PubChem CID120630743
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCCOc1ccccc1CCNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C18H22N2O2/c1-3-22-17-7-5-4-6-14(17)10-11-20-18(21)16-12-15(19)9-8-13(16)2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKeyHSMLHQLFHYSGPK-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 120624405
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 74246247
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 23823481
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119317364
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide (CID 120630743) is 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide is CCOc1ccccc1CCNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide?
The InChIKey is HSMLHQLFHYSGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-17-7-5-4-6-14(17)10-11-20-18(21)16-12-15(19)9-8-13(16)2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide?
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 120630743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).