4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide

C26H33N3O6 — CID 46472197

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCOc2ccc(C#N)cc2OC)N2CCOCC2)cc1OC
InChIInChI=1S/C26H33N3O6/c1-31-22-9-7-20(16-25(22)33-3)21(29-10-13-34-14-11-29)18-28-26(30)5-4-12-35-23-8-6-19(17-27)15-24(23)32-2/h6-9,15-16,21H,4-5,10-14,18H2,1-3H3,(H,28,30)
InChIKeyJNQWUKJYWXHVTE-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.93
Rot. Bonds12

About 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide (PubChem CID 46472197) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
PubChem CID46472197
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCOc2ccc(C#N)cc2OC)N2CCOCC2)cc1OC
InChIInChI=1S/C26H33N3O6/c1-31-22-9-7-20(16-25(22)33-3)21(29-10-13-34-14-11-29)18-28-26(30)5-4-12-35-23-8-6-19(17-27)15-24(23)32-2/h6-9,15-16,21H,4-5,10-14,18H2,1-3H3,(H,28,30)
InChIKeyJNQWUKJYWXHVTE-UHFFFAOYSA-N
XLogP2.93
TPSA102.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46448746
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 45354263
N'-(2-cyanoethyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-phenylbutanediamide
CID 56505286
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide (CID 46472197) is 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide is COc1ccc(C(CNC(=O)CCCOc2ccc(C#N)cc2OC)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The InChIKey is JNQWUKJYWXHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-31-22-9-7-20(16-25(22)33-3)21(29-10-13-34-14-11-29)18-28-26(30)5-4-12-35-23-8-6-19(17-27)15-24(23)32-2/h6-9,15-16,21H,4-5,10-14,18H2,1-3H3,(H,28,30).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide has a molecular weight of 483.57 g/mol, XLogP of 2.93, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide is sourced from PubChem (CID 46472197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).