2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide

C16H22N2O3 — CID 43112203

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1cc(C#N)ccc1OC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H22N2O3/c1-11(2)7-8-18-16(19)12(3)21-14-6-5-13(10-17)9-15(14)20-4/h5-6,9,11-12H,7-8H2,1-4H3,(H,18,19)
InChIKeyANRGKFDBJZJQOH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.50
Rot. Bonds7

About 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide

2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 43112203) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
PubChem CID43112203
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1cc(C#N)ccc1OC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H22N2O3/c1-11(2)7-8-18-16(19)12(3)21-14-6-5-13(10-17)9-15(14)20-4/h5-6,9,11-12H,7-8H2,1-4H3,(H,18,19)
InChIKeyANRGKFDBJZJQOH-UHFFFAOYSA-N
XLogP2.50
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
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
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)propanamide
CID 61388593

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide (CID 43112203) is 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide is COc1cc(C#N)ccc1OC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is ANRGKFDBJZJQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)7-8-18-16(19)12(3)21-14-6-5-13(10-17)9-15(14)20-4/h5-6,9,11-12H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.50, 7 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 43112203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).