1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one

C12H18N2O2 — CID 107507295

IUPAC1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
SMILESCCN(CC(=O)COC)Cc1ccncc1
InChIInChI=1S/C12H18N2O2/c1-3-14(9-12(15)10-16-2)8-11-4-6-13-7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyYHMXPCYYROVFAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds7

About 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one

1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one (PubChem CID 107507295) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
PubChem CID107507295
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
SMILESCCN(CC(=O)COC)Cc1ccncc1
InChIInChI=1S/C12H18N2O2/c1-3-14(9-12(15)10-16-2)8-11-4-6-13-7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyYHMXPCYYROVFAZ-UHFFFAOYSA-N
XLogP1.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052106
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 61450643
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(oxolan-3-yl)ethanone
CID 113448768
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one?
The IUPAC name of 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one (CID 107507295) is 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one?
The canonical SMILES for 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one is CCN(CC(=O)COC)Cc1ccncc1.
What is the InChIKey of 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one?
The InChIKey is YHMXPCYYROVFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14(9-12(15)10-16-2)8-11-4-6-13-7-5-11/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one?
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one is sourced from PubChem (CID 107507295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).