N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide

C26H31N3O4 — CID 11568609

IUPACN-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
SMILESCOc1ccc(C2=NOC3(CCN(C(=O)NCc4ccccc4)C3)C2)cc1OC1CCCC1
InChIInChI=1S/C26H31N3O4/c1-31-23-12-11-20(15-24(23)32-21-9-5-6-10-21)22-16-26(33-28-22)13-14-29(18-26)25(30)27-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,21H,5-6,9-10,13-14,16-18H2,1H3,(H,27,30)
InChIKeyNVWFDBYERXNPJX-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.50
Rot. Bonds6

About N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide

N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide (PubChem CID 11568609) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
PubChem CID11568609
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
SMILESCOc1ccc(C2=NOC3(CCN(C(=O)NCc4ccccc4)C3)C2)cc1OC1CCCC1
InChIInChI=1S/C26H31N3O4/c1-31-23-12-11-20(15-24(23)32-21-9-5-6-10-21)22-16-26(33-28-22)13-14-29(18-26)25(30)27-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,21H,5-6,9-10,13-14,16-18H2,1H3,(H,27,30)
InChIKeyNVWFDBYERXNPJX-UHFFFAOYSA-N
XLogP4.50
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide?
The IUPAC name of N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide (CID 11568609) is N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide?
The canonical SMILES for N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide is COc1ccc(C2=NOC3(CCN(C(=O)NCc4ccccc4)C3)C2)cc1OC1CCCC1.
What is the InChIKey of N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide?
The InChIKey is NVWFDBYERXNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-31-23-12-11-20(15-24(23)32-21-9-5-6-10-21)22-16-26(33-28-22)13-14-29(18-26)25(30)27-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,21H,5-6,9-10,13-14,16-18H2,1H3,(H,27,30).
What are the key properties of N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide?
N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide is sourced from PubChem (CID 11568609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).