N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide

C12H18N2O2 — CID 18546205

IUPACN-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-3-13-12(16)9(2)14-8-10-6-4-5-7-11(10)15/h4-7,9,14-15H,3,8H2,1-2H3,(H,13,16)
InChIKeyFNGYXNZCTHFGAR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.01
Rot. Bonds5

About N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide

N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide (PubChem CID 18546205) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
PubChem CID18546205
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-3-13-12(16)9(2)14-8-10-6-4-5-7-11(10)15/h4-7,9,14-15H,3,8H2,1-2H3,(H,13,16)
InChIKeyFNGYXNZCTHFGAR-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
CID 115556585
N-(ethylcarbamoyl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43083660
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide
CID 63641906
2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
CID 43112541
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376
2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethylpropanamide
CID 54953624
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide (CID 18546205) is N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide is CCNC(=O)C(C)NCc1ccccc1O.
What is the InChIKey of N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide?
The InChIKey is FNGYXNZCTHFGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-12(16)9(2)14-8-10-6-4-5-7-11(10)15/h4-7,9,14-15H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide?
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide is sourced from PubChem (CID 18546205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).