2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide

C24H30N2O5 — CID 16894900

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C24H30N2O5/c1-29-20-11-10-18(15-21(20)30-2)16-23(27)25-12-6-9-24(28)26-13-14-31-22(17-26)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,22H,6,9,12-14,16-17H2,1-2H3,(H,25,27)
InChIKeyWFTKEDWNIXBIGV-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.74
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide (PubChem CID 16894900) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
PubChem CID16894900
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C24H30N2O5/c1-29-20-11-10-18(15-21(20)30-2)16-23(27)25-12-6-9-24(28)26-13-14-31-22(17-26)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,22H,6,9,12-14,16-17H2,1-2H3,(H,25,27)
InChIKeyWFTKEDWNIXBIGV-UHFFFAOYSA-N
XLogP2.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895157
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
5-chloro-2-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894767
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide (CID 16894900) is 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide is COc1ccc(CC(=O)NCCCC(=O)N2CCOC(c3ccccc3)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
The InChIKey is WFTKEDWNIXBIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-20-11-10-18(15-21(20)30-2)16-23(27)25-12-6-9-24(28)26-13-14-31-22(17-26)19-7-4-3-5-8-19/h3-5,7-8,10-11,15,22H,6,9,12-14,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide has a molecular weight of 426.51 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide is sourced from PubChem (CID 16894900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).