N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C26H34N2O5 — CID 43006617

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1
InChIInChI=1S/C26H34N2O5/c1-3-16-33-23-10-6-21(7-11-23)25(29)12-13-26(30)27-19-24(28-14-17-32-18-15-28)20-4-8-22(31-2)9-5-20/h4-11,24H,3,12-19H2,1-2H3,(H,27,30)
InChIKeyDFCLNSMXGAOTKA-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.64
Rot. Bonds12

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 43006617) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID43006617
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1
InChIInChI=1S/C26H34N2O5/c1-3-16-33-23-10-6-21(7-11-23)25(29)12-13-26(30)27-19-24(28-14-17-32-18-15-28)20-4-8-22(31-2)9-5-20/h4-11,24H,3,12-19H2,1-2H3,(H,27,30)
InChIKeyDFCLNSMXGAOTKA-UHFFFAOYSA-N
XLogP3.64
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-(2-morpholin-4-yl-2-phenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 46578551
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 43006617) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is DFCLNSMXGAOTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5/c1-3-16-33-23-10-6-21(7-11-23)25(29)12-13-26(30)27-19-24(28-14-17-32-18-15-28)20-4-8-22(31-2)9-5-20/h4-11,24H,3,12-19H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 454.57 g/mol, XLogP of 3.64, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 43006617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).