4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide

C25H30N2O6 — CID 100687083

IUPAC4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)CCOCC2)cc1
InChIInChI=1S/C25H30N2O6/c1-30-21-6-2-19(3-7-21)25(10-14-31-15-11-25)24(29)26-20-4-8-22(9-5-20)33-18-23(28)27-12-16-32-17-13-27/h2-9H,10-18H2,1H3,(H,26,29)
InChIKeyVZFWNIVWYBSPMD-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.62
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide (PubChem CID 100687083) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
PubChem CID100687083
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)CCOCC2)cc1
InChIInChI=1S/C25H30N2O6/c1-30-21-6-2-19(3-7-21)25(10-14-31-15-11-25)24(29)26-20-4-8-22(9-5-20)33-18-23(28)27-12-16-32-17-13-27/h2-9H,10-18H2,1H3,(H,26,29)
InChIKeyVZFWNIVWYBSPMD-UHFFFAOYSA-N
XLogP2.62
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 100674043
4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100683391
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126233774

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide (CID 100687083) is 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide?
The InChIKey is VZFWNIVWYBSPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-30-21-6-2-19(3-7-21)25(10-14-31-15-11-25)24(29)26-20-4-8-22(9-5-20)33-18-23(28)27-12-16-32-17-13-27/h2-9H,10-18H2,1H3,(H,26,29).
What are the key properties of 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100687083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).