2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide

C21H25N3O2 — CID 55717536

IUPAC2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide
SMILESCCN(CCNC(=O)C(C)Oc1ccc(C#N)cc1)c1ccccc1C
InChIInChI=1S/C21H25N3O2/c1-4-24(20-8-6-5-7-16(20)2)14-13-23-21(25)17(3)26-19-11-9-18(15-22)10-12-19/h5-12,17H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQXPKNSIRTMKHEG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide

2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide (PubChem CID 55717536) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide
PubChem CID55717536
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide
SMILESCCN(CCNC(=O)C(C)Oc1ccc(C#N)cc1)c1ccccc1C
InChIInChI=1S/C21H25N3O2/c1-4-24(20-8-6-5-7-16(20)2)14-13-23-21(25)17(3)26-19-11-9-18(15-22)10-12-19/h5-12,17H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQXPKNSIRTMKHEG-UHFFFAOYSA-N
XLogP3.28
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
1-[(3-cyanophenyl)methyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]-1-methylurea
CID 87007283
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylphenyl)acetamide
CID 24690300
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
1-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
CID 8768843
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide (CID 55717536) is 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide is CCN(CCNC(=O)C(C)Oc1ccc(C#N)cc1)c1ccccc1C.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide?
The InChIKey is QXPKNSIRTMKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-24(20-8-6-5-7-16(20)2)14-13-23-21(25)17(3)26-19-11-9-18(15-22)10-12-19/h5-12,17H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide?
2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide is sourced from PubChem (CID 55717536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).