N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide

C18H21N3O3 — CID 78767174

IUPACN,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
SMILESCC=Cc1ccc(OCC(=O)N(CCC#N)CCC#N)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-3-6-15-7-8-16(17(13-15)23-2)24-14-18(22)21(11-4-9-19)12-5-10-20/h3,6-8,13H,4-5,11-12,14H2,1-2H3
InChIKeyNMMPOGWHRYKHRP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds9

About N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide

N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide (PubChem CID 78767174) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
PubChem CID78767174
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
SMILESCC=Cc1ccc(OCC(=O)N(CCC#N)CCC#N)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-3-6-15-7-8-16(17(13-15)23-2)24-14-18(22)21(11-4-9-19)12-5-10-20/h3,6-8,13H,4-5,11-12,14H2,1-2H3
InChIKeyNMMPOGWHRYKHRP-UHFFFAOYSA-N
XLogP2.76
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 55355312
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide
CID 112786589
(Z)-N,N-bis(2-cyanoethyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 97435242
1-cyanoethyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 47004295
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78766207
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
N-(2-cyanoethyl)-3-(3,4-diethoxyphenyl)-N-methylprop-2-enamide
CID 78805506

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide (CID 78767174) is N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide is CC=Cc1ccc(OCC(=O)N(CCC#N)CCC#N)c(OC)c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The InChIKey is NMMPOGWHRYKHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-6-15-7-8-16(17(13-15)23-2)24-14-18(22)21(11-4-9-19)12-5-10-20/h3,6-8,13H,4-5,11-12,14H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide is sourced from PubChem (CID 78767174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).