2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide

C14H14N2O3 — CID 43112207

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C#N)cc1OC
InChIInChI=1S/C14H14N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h1,5-6,8,10H,7H2,2-3H3,(H,16,17)
InChIKeyCZVAMCWPKRVFTC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.08
Rot. Bonds5

About 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide

2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide (PubChem CID 43112207) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
PubChem CID43112207
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C#N)cc1OC
InChIInChI=1S/C14H14N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h1,5-6,8,10H,7H2,2-3H3,(H,16,17)
InChIKeyCZVAMCWPKRVFTC-UHFFFAOYSA-N
XLogP1.08
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-fluorophenoxy)-N-prop-2-ynylpropanamide
CID 113263499
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
2-(4-cyano-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 47449675
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60882115
4-methoxy-3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 79726276
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
CID 4808213
(2R)-N-(4-chlorophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757420

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide (CID 43112207) is 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(C#N)cc1OC.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide?
The InChIKey is CZVAMCWPKRVFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-4-7-16-14(17)10(2)19-12-6-5-11(9-15)8-13(12)18-3/h1,5-6,8,10H,7H2,2-3H3,(H,16,17).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide?
2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide has a molecular weight of 258.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43112207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).