2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone

C16H18N2O2 — CID 62052112

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(O)cc1)Cc1ccncc1
InChIInChI=1S/C16H18N2O2/c1-2-18(11-13-7-9-17-10-8-13)12-16(20)14-3-5-15(19)6-4-14/h3-10,19H,2,11-12H2,1H3
InChIKeyJGVYWVUPSZMTTM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.49
Rot. Bonds6

About 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone

2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone (PubChem CID 62052112) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
PubChem CID62052112
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(O)cc1)Cc1ccncc1
InChIInChI=1S/C16H18N2O2/c1-2-18(11-13-7-9-17-10-8-13)12-16(20)14-3-5-15(19)6-4-14/h3-10,19H,2,11-12H2,1H3
InChIKeyJGVYWVUPSZMTTM-UHFFFAOYSA-N
XLogP2.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052106
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone (CID 62052112) is 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone is CCN(CC(=O)c1ccc(O)cc1)Cc1ccncc1.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is JGVYWVUPSZMTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-18(11-13-7-9-17-10-8-13)12-16(20)14-3-5-15(19)6-4-14/h3-10,19H,2,11-12H2,1H3.
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone?
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 62052112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).