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

C25H30N2O2 — CID 11269310

IUPACN,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C25H30N2O2/c1-3-27(4-2)24(28)20-12-10-19(11-13-20)22-18-25(14-7-16-26-17-15-25)29-23-9-6-5-8-21(22)23/h5-6,8-13,18,26H,3-4,7,14-17H2,1-2H3
InChIKeyIRJSIGMOOQZCQT-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.51
Rot. Bonds4

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

N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide (PubChem CID 11269310) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide
PubChem CID11269310
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C25H30N2O2/c1-3-27(4-2)24(28)20-12-10-19(11-13-20)22-18-25(14-7-16-26-17-15-25)29-23-9-6-5-8-21(22)23/h5-6,8-13,18,26H,3-4,7,14-17H2,1-2H3
InChIKeyIRJSIGMOOQZCQT-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Adl-5859
CID 11417954
PF-429242
CID 23661637
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Adl-5747
CID 76967747
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
N,N-Diethyl-2-hydroxy-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11406708
N,N-Diethyl-4-(6-hydroxyspiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11474838
(4-Cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-phenoxyphenyl]methanone
CID 24855949

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide?
The IUPAC name of N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide (CID 11269310) is N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide.
What is the SMILES notation for N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide?
The canonical SMILES for N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide?
The InChIKey is IRJSIGMOOQZCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-27(4-2)24(28)20-12-10-19(11-13-20)22-18-25(14-7-16-26-17-15-25)29-23-9-6-5-8-21(22)23/h5-6,8-13,18,26H,3-4,7,14-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide?
N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-spiro[azepane-4,2'-chromene]-4'-ylbenzamide is sourced from PubChem (CID 11269310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).