9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C20H28N4O3 — CID 131691424

IUPAC9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)N(C)CC(=O)N1CCCC2(CC(C(=O)Nc3ccccc3)=NO2)C1
InChIInChI=1S/C20H28N4O3/c1-15(2)23(3)13-18(25)24-11-7-10-20(14-24)12-17(22-27-20)19(26)21-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,21,26)
InChIKeyRZSXRWDUNMXDRN-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.10
Rot. Bonds5

About 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131691424) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131691424
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)N(C)CC(=O)N1CCCC2(CC(C(=O)Nc3ccccc3)=NO2)C1
InChIInChI=1S/C20H28N4O3/c1-15(2)23(3)13-18(25)24-11-7-10-20(14-24)12-17(22-27-20)19(26)21-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,21,26)
InChIKeyRZSXRWDUNMXDRN-UHFFFAOYSA-N
XLogP2.10
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131691424) is 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CC(C)N(C)CC(=O)N1CCCC2(CC(C(=O)Nc3ccccc3)=NO2)C1.
What is the InChIKey of 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is RZSXRWDUNMXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(2)23(3)13-18(25)24-11-7-10-20(14-24)12-17(22-27-20)19(26)21-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3,(H,21,26).
What are the key properties of 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131691424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).