N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide

C24H28N2O3 — CID 11406708

IUPACN,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1O
InChIInChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
InChIKeyPPPGYYODAWSTAS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.82
Rot. Bonds4

About N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide

N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide (PubChem CID 11406708) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
PubChem CID11406708
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1O
InChIInChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
InChIKeyPPPGYYODAWSTAS-UHFFFAOYSA-N
XLogP3.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The IUPAC name of N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide (CID 11406708) is N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1O.
What is the InChIKey of N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The InChIKey is PPPGYYODAWSTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide is sourced from PubChem (CID 11406708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).