N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide

C16H22N2O3 — CID 107664858

IUPACN-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide
SMILESCCc1ccc(OCCC(=O)N(C)CCC#N)c(OC)c1
InChIInChI=1S/C16H22N2O3/c1-4-13-6-7-14(15(12-13)20-3)21-11-8-16(19)18(2)10-5-9-17/h6-7,12H,4-5,8,10-11H2,1-3H3
InChIKeyPRDKMUPJKIIDJJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.40
Rot. Bonds8

About N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide

N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide (PubChem CID 107664858) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide
PubChem CID107664858
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide
SMILESCCc1ccc(OCCC(=O)N(C)CCC#N)c(OC)c1
InChIInChI=1S/C16H22N2O3/c1-4-13-6-7-14(15(12-13)20-3)21-11-8-16(19)18(2)10-5-9-17/h6-7,12H,4-5,8,10-11H2,1-3H3
InChIKeyPRDKMUPJKIIDJJ-UHFFFAOYSA-N
XLogP2.40
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501470
N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
CID 107658067
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694137
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985498
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide (CID 107664858) is N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide is CCc1ccc(OCCC(=O)N(C)CCC#N)c(OC)c1.
What is the InChIKey of N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide?
The InChIKey is PRDKMUPJKIIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-13-6-7-14(15(12-13)20-3)21-11-8-16(19)18(2)10-5-9-17/h6-7,12H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide is sourced from PubChem (CID 107664858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).