2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide

C15H20N2O3 — CID 22686324

IUPAC2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
SMILESCCCOc1c(CCNC(=O)CC#N)cccc1OC
InChIInChI=1S/C15H20N2O3/c1-3-11-20-15-12(5-4-6-13(15)19-2)8-10-17-14(18)7-9-16/h4-6H,3,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyKKOPPMMDMVPHMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.06
Rot. Bonds8

About 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide

2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide (PubChem CID 22686324) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
PubChem CID22686324
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
SMILESCCCOc1c(CCNC(=O)CC#N)cccc1OC
InChIInChI=1S/C15H20N2O3/c1-3-11-20-15-12(5-4-6-13(15)19-2)8-10-17-14(18)7-9-16/h4-6H,3,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyKKOPPMMDMVPHMM-UHFFFAOYSA-N
XLogP2.06
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
2-cyano-N-[2-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20990085
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
2-cyano-N-[[3-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]acetamide
CID 22685929
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
CID 22683076
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
2-cyano-N-[2-[2-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 20984576
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide (CID 22686324) is 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide is CCCOc1c(CCNC(=O)CC#N)cccc1OC.
What is the InChIKey of 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide?
The InChIKey is KKOPPMMDMVPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11-20-15-12(5-4-6-13(15)19-2)8-10-17-14(18)7-9-16/h4-6H,3,7-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide?
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 22686324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).