N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide

C23H28N2O3 — CID 16894872

IUPACN-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c26-22(14-13-19-8-3-1-4-9-19)24-15-7-12-23(27)25-16-17-28-21(18-25)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,24,26)
InChIKeyCNTUBOMBKNQPBU-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.12
Rot. Bonds8

About N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide

N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide (PubChem CID 16894872) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
PubChem CID16894872
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c26-22(14-13-19-8-3-1-4-9-19)24-15-7-12-23(27)25-16-17-28-21(18-25)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,24,26)
InChIKeyCNTUBOMBKNQPBU-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-N'-(2-phenylethyl)oxamide
CID 16895045
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16894866
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide?
The IUPAC name of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide (CID 16894872) is N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide?
The InChIKey is CNTUBOMBKNQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(14-13-19-8-3-1-4-9-19)24-15-7-12-23(27)25-16-17-28-21(18-25)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,24,26).
What are the key properties of N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide?
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide is sourced from PubChem (CID 16894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).