3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

C22H28N2O4 — CID 16892558

IUPAC3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-26-19-10-9-18(15-20(19)27-2)22(25)23-11-6-12-24-13-14-28-21(16-24)17-7-4-3-5-8-17/h3-5,7-10,15,21H,6,11-14,16H2,1-2H3,(H,23,25)
InChIKeyAGJPFVXZBULAON-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.90
Rot. Bonds8

About 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (PubChem CID 16892558) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
PubChem CID16892558
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-26-19-10-9-18(15-20(19)27-2)22(25)23-11-6-12-24-13-14-28-21(16-24)17-7-4-3-5-8-17/h3-5,7-10,15,21H,6,11-14,16H2,1-2H3,(H,23,25)
InChIKeyAGJPFVXZBULAON-UHFFFAOYSA-N
XLogP2.90
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.90
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

4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
4,5-dimethoxy-2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892622
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (CID 16892558) is 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is COc1ccc(C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The InChIKey is AGJPFVXZBULAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-10-9-18(15-20(19)27-2)22(25)23-11-6-12-24-13-14-28-21(16-24)17-7-4-3-5-8-17/h3-5,7-10,15,21H,6,11-14,16H2,1-2H3,(H,23,25).
What are the key properties of 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 16892558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).