2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide

C22H26N2O3 — CID 55930035

IUPAC2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccc(C)cc1CCNC(=O)C(Oc1ccccc1C#N)C(C)C
InChIInChI=1S/C22H26N2O3/c1-15(2)21(27-20-8-6-5-7-18(20)14-23)22(25)24-12-11-17-13-16(3)9-10-19(17)26-4/h5-10,13,15,21H,11-12H2,1-4H3,(H,24,25)
InChIKeyHTTQZHZPRURXPZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.64
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide

2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide (PubChem CID 55930035) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide
PubChem CID55930035
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccc(C)cc1CCNC(=O)C(Oc1ccccc1C#N)C(C)C
InChIInChI=1S/C22H26N2O3/c1-15(2)21(27-20-8-6-5-7-18(20)14-23)22(25)24-12-11-17-13-16(3)9-10-19(17)26-4/h5-10,13,15,21H,11-12H2,1-4H3,(H,24,25)
InChIKeyHTTQZHZPRURXPZ-UHFFFAOYSA-N
XLogP3.64
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
N-[3-[[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]methyl]phenyl]-4-methylbenzamide
CID 55945915
(2S)-2-(2-cyanophenoxy)-3-methyl-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]butanamide
CID 100627691
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 87040479
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(2-cyanophenoxy)-3-methylbutanamide
CID 55960042
2-(2-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
CID 56552764
2-(2-cyanophenoxy)-3-methyl-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 55939515
2-fluoro-N-[1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74617762

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide (CID 55930035) is 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide is COc1ccc(C)cc1CCNC(=O)C(Oc1ccccc1C#N)C(C)C.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide?
The InChIKey is HTTQZHZPRURXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)21(27-20-8-6-5-7-18(20)14-23)22(25)24-12-11-17-13-16(3)9-10-19(17)26-4/h5-10,13,15,21H,11-12H2,1-4H3,(H,24,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide?
2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 55930035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).