2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide

C18H24N2O3 — CID 11914832

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C18H24N2O3/c1-12-5-4-6-15(13(12)2)20-18(21)11-23-16-8-7-14(10-19)9-17(16)22-3/h7-9,12-13,15H,4-6,11H2,1-3H3,(H,20,21)/t12-,13-,15+/m1/s1
InChIKeyQRHXHGIYCYUYGC-NFAWXSAZSA-N
MW316.40 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11914832) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11914832
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C18H24N2O3/c1-12-5-4-6-15(13(12)2)20-18(21)11-23-16-8-7-14(10-19)9-17(16)22-3/h7-9,12-13,15H,4-6,11H2,1-3H3,(H,20,21)/t12-,13-,15+/m1/s1
InChIKeyQRHXHGIYCYUYGC-NFAWXSAZSA-N
XLogP2.89
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

methyl 4-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 11923909
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 7270136
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 41001127
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 11908007
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 11901457
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide (CID 11914832) is 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide is COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is QRHXHGIYCYUYGC-NFAWXSAZSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-5-4-6-15(13(12)2)20-18(21)11-23-16-8-7-14(10-19)9-17(16)22-3/h7-9,12-13,15H,4-6,11H2,1-3H3,(H,20,21)/t12-,13-,15+/m1/s1.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.89, 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-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).