(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide

C18H24N2O2 — CID 11929296

IUPAC(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc2cccc(C#N)c2)CCC[C@@H]1C
InChIInChI=1S/C18H24N2O2/c1-12-6-4-9-17(13(12)2)20-18(21)14(3)22-16-8-5-7-15(10-16)11-19/h5,7-8,10,12-14,17H,4,6,9H2,1-3H3,(H,20,21)/t12-,13+,14+,17-/m0/s1
InChIKeyBMWSXRANLKYJBC-CFAJVAMVSA-N
MW300.40 g/mol
LogP3.27
Rot. Bonds4

About (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 11929296) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
PubChem CID11929296
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc2cccc(C#N)c2)CCC[C@@H]1C
InChIInChI=1S/C18H24N2O2/c1-12-6-4-9-17(13(12)2)20-18(21)14(3)22-16-8-5-7-15(10-16)11-19/h5,7-8,10,12-14,17H,4,6,9H2,1-3H3,(H,20,21)/t12-,13+,14+,17-/m0/s1
InChIKeyBMWSXRANLKYJBC-CFAJVAMVSA-N
XLogP3.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide with MolForge

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Related Compounds

[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-cyanobenzoate
CID 11928588
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11935435
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-propanoylphenoxy)propanamide
CID 11929131
(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-propanoylphenoxy)propanamide
CID 11929132
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983930
ethyl 4-[1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 17396031
N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
CID 78853035
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 11925701
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 11924532
2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 51926733

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide (CID 11929296) is (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide is C[C@H]1[C@@H](NC(=O)[C@@H](C)Oc2cccc(C#N)c2)CCC[C@@H]1C.
What is the InChIKey of (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is BMWSXRANLKYJBC-CFAJVAMVSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-6-4-9-17(13(12)2)20-18(21)14(3)22-16-8-5-7-15(10-16)11-19/h5,7-8,10,12-14,17H,4,6,9H2,1-3H3,(H,20,21)/t12-,13+,14+,17-/m0/s1.
What are the key properties of (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 300.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 11929296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).