(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide

C19H25N3O4 — CID 7993066

IUPAC(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H25N3O4/c1-3-25-17-11-14(12-20)9-10-16(17)26-13(2)18(23)22-19(24)21-15-7-5-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3,(H2,21,22,23,24)/t13-/m0/s1
InChIKeyCEAFRDBEKJLQIB-ZDUSSCGKSA-N
MW359.43 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide

(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 7993066) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
PubChem CID7993066
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H25N3O4/c1-3-25-17-11-14(12-20)9-10-16(17)26-13(2)18(23)22-19(24)21-15-7-5-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3,(H2,21,22,23,24)/t13-/m0/s1
InChIKeyCEAFRDBEKJLQIB-ZDUSSCGKSA-N
XLogP2.88
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
CID 4808213
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 26761509
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7992828
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 8939166
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7993037
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537646
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253561
(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7653013
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide (CID 7993066) is (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide is CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is CEAFRDBEKJLQIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-25-17-11-14(12-20)9-10-16(17)26-13(2)18(23)22-19(24)21-15-7-5-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3,(H2,21,22,23,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide?
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 7993066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).