(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide

C18H23N3O4 — CID 95164217

IUPAC(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N[C@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C18H23N3O4/c1-12(18(23)21-14-5-3-4-6-14)20-17(22)11-25-15-8-7-13(10-19)9-16(15)24-2/h7-9,12,14H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyJKDCHMDQHPOCIB-GFCCVEGCSA-N
MW345.40 g/mol
LogP1.51
Rot. Bonds7

About (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide

(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 95164217) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
PubChem CID95164217
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
SMILESCOc1cc(C#N)ccc1OCC(=O)N[C@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C18H23N3O4/c1-12(18(23)21-14-5-3-4-6-14)20-17(22)11-25-15-8-7-13(10-19)9-16(15)24-2/h7-9,12,14H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyJKDCHMDQHPOCIB-GFCCVEGCSA-N
XLogP1.51
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
2-(4-cyano-2-methoxyphenoxy)-N-cyclohexylpropanamide
CID 4808213
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914832
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide (CID 95164217) is (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide is COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is JKDCHMDQHPOCIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(18(23)21-14-5-3-4-6-14)20-17(22)11-25-15-8-7-13(10-19)9-16(15)24-2/h7-9,12,14H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide?
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 95164217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).