4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide

C22H25ClN2O4 — CID 108730998

IUPAC4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H25ClN2O4/c1-28-21-8-4-17(23)14-19(21)20(26)7-9-22(27)24-18-5-2-16(3-6-18)15-25-10-12-29-13-11-25/h2-6,8,14H,7,9-13,15H2,1H3,(H,24,27)
InChIKeyYOXRNHUFSSDELI-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.78
Rot. Bonds8

About 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide (PubChem CID 108730998) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
PubChem CID108730998
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H25ClN2O4/c1-28-21-8-4-17(23)14-19(21)20(26)7-9-22(27)24-18-5-2-16(3-6-18)15-25-10-12-29-13-11-25/h2-6,8,14H,7,9-13,15H2,1H3,(H,24,27)
InChIKeyYOXRNHUFSSDELI-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8805861
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8682147
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide (CID 108730998) is 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide?
The InChIKey is YOXRNHUFSSDELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-28-21-8-4-17(23)14-19(21)20(26)7-9-22(27)24-18-5-2-16(3-6-18)15-25-10-12-29-13-11-25/h2-6,8,14H,7,9-13,15H2,1H3,(H,24,27).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide has a molecular weight of 416.91 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 108730998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).