4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide

C23H30N2O3 — CID 51866537

IUPAC4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-27-21-12-10-20(11-13-21)23(26)24-14-6-7-15-25-16-17-28-22(18-25)19-8-4-3-5-9-19/h3-5,8-13,22H,2,6-7,14-18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyXVMMSCZJUYJKOG-JOCHJYFZSA-N
MW382.50 g/mol
LogP3.67
Rot. Bonds9

About 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide

4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide (PubChem CID 51866537) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
PubChem CID51866537
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-27-21-12-10-20(11-13-21)23(26)24-14-6-7-15-25-16-17-28-22(18-25)19-8-4-3-5-9-19/h3-5,8-13,22H,2,6-7,14-18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyXVMMSCZJUYJKOG-JOCHJYFZSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea
CID 93480907
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide (CID 51866537) is 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide is CCOc1ccc(C(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
The InChIKey is XVMMSCZJUYJKOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-27-21-12-10-20(11-13-21)23(26)24-14-6-7-15-25-16-17-28-22(18-25)19-8-4-3-5-9-19/h3-5,8-13,22H,2,6-7,14-18H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide is sourced from PubChem (CID 51866537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).