2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide

C23H26N2O2 — CID 59674350

IUPAC2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
SMILESCC(C)C(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C23H26N2O2/c1-16(2)22(26)25-18-9-7-17(8-10-18)20-15-23(11-13-24-14-12-23)27-21-6-4-3-5-19(20)21/h3-10,15-16,24H,11-14H2,1-2H3,(H,25,26)
InChIKeyPGLZSWYLNAASAN-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.23
Rot. Bonds3

About 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide

2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide (PubChem CID 59674350) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
PubChem CID59674350
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
SMILESCC(C)C(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C23H26N2O2/c1-16(2)22(26)25-18-9-7-17(8-10-18)20-15-23(11-13-24-14-12-23)27-21-6-4-3-5-19(20)21/h3-10,15-16,24H,11-14H2,1-2H3,(H,25,26)
InChIKeyPGLZSWYLNAASAN-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide?
The IUPAC name of 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide (CID 59674350) is 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide?
The canonical SMILES for 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide is CC(C)C(=O)Nc1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide?
The InChIKey is PGLZSWYLNAASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(2)22(26)25-18-9-7-17(8-10-18)20-15-23(11-13-24-14-12-23)27-21-6-4-3-5-19(20)21/h3-10,15-16,24H,11-14H2,1-2H3,(H,25,26).
What are the key properties of 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide?
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide is sourced from PubChem (CID 59674350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).