3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile

C16H22N2O3 — CID 63285300

IUPAC3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile
SMILESCOCCN(CCC#N)C(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O3/c1-13(18(10-4-9-17)11-12-20-2)16(19)14-5-7-15(21-3)8-6-14/h5-8,13H,4,10-12H2,1-3H3
InChIKeyWWLZSXNMMBYONT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds9

About 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile

3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile (PubChem CID 63285300) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile
PubChem CID63285300
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile
SMILESCOCCN(CCC#N)C(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O3/c1-13(18(10-4-9-17)11-12-20-2)16(19)14-5-7-15(21-3)8-6-14/h5-8,13H,4,10-12H2,1-3H3
InChIKeyWWLZSXNMMBYONT-UHFFFAOYSA-N
XLogP2.13
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285381
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
3-[2-methoxyethyl(3-oxopentan-2-yl)amino]propanenitrile
CID 64868653
3-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285129
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 107481165
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
CID 63286664
3-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]propanenitrile
CID 62036685
3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050757
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7861849
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
2-(4-methoxybenzoyl)-4-oxopentanenitrile
CID 178031492

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile (CID 63285300) is 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile is COCCN(CCC#N)C(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile?
The InChIKey is WWLZSXNMMBYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(18(10-4-9-17)11-12-20-2)16(19)14-5-7-15(21-3)8-6-14/h5-8,13H,4,10-12H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile?
3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile has a molecular weight of 290.36 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]propanenitrile is sourced from PubChem (CID 63285300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).