2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide

C23H24N2O4 — CID 16892536

IUPAC2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H24N2O4/c26-22(19-15-18-9-4-5-10-20(18)29-23(19)27)24-11-6-12-25-13-14-28-21(16-25)17-7-2-1-3-8-17/h1-5,7-10,15,21H,6,11-14,16H2,(H,24,26)
InChIKeyLHFSNUPJAVPMME-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.99
Rot. Bonds6

About 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide

2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide (PubChem CID 16892536) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
PubChem CID16892536
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H24N2O4/c26-22(19-15-18-9-4-5-10-20(18)29-23(19)27)24-11-6-12-25-13-14-28-21(16-25)17-7-2-1-3-8-17/h1-5,7-10,15,21H,6,11-14,16H2,(H,24,26)
InChIKeyLHFSNUPJAVPMME-UHFFFAOYSA-N
XLogP2.99
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892507
2-naphthalen-1-yl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51571886
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 56717531
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
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-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
2-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892632

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide (CID 16892536) is 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide is O=C(NCCCN1CCOC(c2ccccc2)C1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide?
The InChIKey is LHFSNUPJAVPMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(19-15-18-9-4-5-10-20(18)29-23(19)27)24-11-6-12-25-13-14-28-21(16-25)17-7-2-1-3-8-17/h1-5,7-10,15,21H,6,11-14,16H2,(H,24,26).
What are the key properties of 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide?
2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide is sourced from PubChem (CID 16892536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).