1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one

C17H20N2O2 — CID 82101045

IUPAC1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
SMILESCCOc1ccccc1C(=O)C(C)NCc1cccnc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-9-5-4-8-15(16)17(20)13(2)19-12-14-7-6-10-18-11-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyMBBSSLIEGNYSOM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one

1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one (PubChem CID 82101045) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
PubChem CID82101045
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
SMILESCCOc1ccccc1C(=O)C(C)NCc1cccnc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-9-5-4-8-15(16)17(20)13(2)19-12-14-7-6-10-18-11-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyMBBSSLIEGNYSOM-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
1-(2,4-dimethylphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one
CID 82100550
2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82101024
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800
1-(2-ethoxyphenyl)-2-pyridin-4-ylpropan-1-one
CID 66469435
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
2-(3-methylbutoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
CID 17199820
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
1-(2-ethoxyphenyl)-2-(1-hydroxybutan-2-ylamino)propan-1-one
CID 82101058
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 75495399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one (CID 82101045) is 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one is CCOc1ccccc1C(=O)C(C)NCc1cccnc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
The InChIKey is MBBSSLIEGNYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-16-9-5-4-8-15(16)17(20)13(2)19-12-14-7-6-10-18-11-14/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one?
1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)propan-1-one is sourced from PubChem (CID 82101045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).