N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide

C12H18N2O2 — CID 62656871

IUPACN-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCCNCCNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C12H18N2O2/c1-3-13-6-7-14-12(16)10-5-4-9(2)8-11(10)15/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyHBCGADGSOJEQEU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide

N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide (PubChem CID 62656871) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
PubChem CID62656871
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
SMILESCCNCCNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C12H18N2O2/c1-3-13-6-7-14-12(16)10-5-4-9(2)8-11(10)15/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyHBCGADGSOJEQEU-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide (CID 62656871) is N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide is CCNCCNC(=O)c1ccc(C)cc1O.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is HBCGADGSOJEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-6-7-14-12(16)10-5-4-9(2)8-11(10)15/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide?
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 62656871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).