N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide

C26H32N2O2 — CID 59674324

IUPACN,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccc(C)cc32)cc1
InChIInChI=1S/C26H32N2O2/c1-4-28(5-2)25(29)21-10-8-20(9-11-21)23-18-26(13-6-15-27-16-14-26)30-24-12-7-19(3)17-22(23)24/h7-12,17-18,27H,4-6,13-16H2,1-3H3
InChIKeyOAHDNNBGICQOEX-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.81
Rot. Bonds4

About N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide

N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide (PubChem CID 59674324) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
PubChem CID59674324
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccc(C)cc32)cc1
InChIInChI=1S/C26H32N2O2/c1-4-28(5-2)25(29)21-10-8-20(9-11-21)23-18-26(13-6-15-27-16-14-26)30-24-12-7-19(3)17-22(23)24/h7-12,17-18,27H,4-6,13-16H2,1-3H3
InChIKeyOAHDNNBGICQOEX-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide (CID 59674324) is N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCCNCC3)Oc3ccc(C)cc32)cc1.
What is the InChIKey of N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide?
The InChIKey is OAHDNNBGICQOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-4-28(5-2)25(29)21-10-8-20(9-11-21)23-18-26(13-6-15-27-16-14-26)30-24-12-7-19(3)17-22(23)24/h7-12,17-18,27H,4-6,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide?
N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide has a molecular weight of 404.55 g/mol, XLogP of 4.81, 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-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide is sourced from PubChem (CID 59674324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).