(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide

C19H22N2O2 — CID 52509625

IUPAC(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide
SMILESC#CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)C1CCCCC1
InChIInChI=1S/C19H22N2O2/c1-3-13-21(17-10-5-4-6-11-17)19(22)15(2)23-18-12-8-7-9-16(18)14-20/h1,7-9,12,15,17H,4-6,10-11,13H2,2H3/t15-/m1/s1
InChIKeySUQYCDRJGSSQAV-OAHLLOKOSA-N
MW310.40 g/mol
LogP3.12
Rot. Bonds5

About (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide

(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide (PubChem CID 52509625) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide
PubChem CID52509625
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide
SMILESC#CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)C1CCCCC1
InChIInChI=1S/C19H22N2O2/c1-3-13-21(17-10-5-4-6-11-17)19(22)15(2)23-18-12-8-7-9-16(18)14-20/h1,7-9,12,15,17H,4-6,10-11,13H2,2H3/t15-/m1/s1
InChIKeySUQYCDRJGSSQAV-OAHLLOKOSA-N
XLogP3.12
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
CID 119211409
3-[[(2R)-2-(2-cyanophenoxy)propanoyl]-(oxan-4-yl)amino]propanoic acid
CID 125151991
2-[1-[2-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 110887926
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
(2S)-1-[(2R)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766785
(2S)-1-[(2S)-2-(2-cyanophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 95766784
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
4-[2-(2-cyanophenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230368
2-[(2R)-1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 94069833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide?
The IUPAC name of (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide (CID 52509625) is (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide?
The canonical SMILES for (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide is C#CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)C1CCCCC1.
What is the InChIKey of (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide?
The InChIKey is SUQYCDRJGSSQAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-13-21(17-10-5-4-6-11-17)19(22)15(2)23-18-12-8-7-9-16(18)14-20/h1,7-9,12,15,17H,4-6,10-11,13H2,2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide?
(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 52509625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).