N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide

C25H30N2O4 — CID 66696321

IUPACN,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNC3)Oc3cccc(OCOC)c32)cc1
InChIInChI=1S/C25H30N2O4/c1-4-27(5-2)24(28)19-11-9-18(10-12-19)20-15-25(13-14-26-16-25)31-22-8-6-7-21(23(20)22)30-17-29-3/h6-12,15,26H,4-5,13-14,16-17H2,1-3H3
InChIKeyCFODVITYXNZJHK-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.71
Rot. Bonds7

About N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide

N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide (PubChem CID 66696321) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
PubChem CID66696321
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNC3)Oc3cccc(OCOC)c32)cc1
InChIInChI=1S/C25H30N2O4/c1-4-27(5-2)24(28)19-11-9-18(10-12-19)20-15-25(13-14-26-16-25)31-22-8-6-7-21(23(20)22)30-17-29-3/h6-12,15,26H,4-5,13-14,16-17H2,1-3H3
InChIKeyCFODVITYXNZJHK-UHFFFAOYSA-N
XLogP3.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide (CID 66696321) is N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNC3)Oc3cccc(OCOC)c32)cc1.
What is the InChIKey of N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide?
The InChIKey is CFODVITYXNZJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-4-27(5-2)24(28)19-11-9-18(10-12-19)20-15-25(13-14-26-16-25)31-22-8-6-7-21(23(20)22)30-17-29-3/h6-12,15,26H,4-5,13-14,16-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide?
N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide is sourced from PubChem (CID 66696321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).