3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

C19H24N4O4 — CID 131645622

IUPAC3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
SMILESO=C(NCC1CCCO1)C1=NOC2(CCN(C(=O)Nc3ccccc3)C2)C1
InChIInChI=1S/C19H24N4O4/c24-17(20-12-15-7-4-10-26-15)16-11-19(27-22-16)8-9-23(13-19)18(25)21-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,24)(H,21,25)
InChIKeyKEAJMPWKLODTCY-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.73
Rot. Bonds4

About 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide

3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (PubChem CID 131645622) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.

Molecular Properties

Compound Name3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
PubChem CID131645622
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
SMILESO=C(NCC1CCCO1)C1=NOC2(CCN(C(=O)Nc3ccccc3)C2)C1
InChIInChI=1S/C19H24N4O4/c24-17(20-12-15-7-4-10-26-15)16-11-19(27-22-16)8-9-23(13-19)18(25)21-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,24)(H,21,25)
InChIKeyKEAJMPWKLODTCY-UHFFFAOYSA-N
XLogP1.73
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491420
(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491386
N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131659642
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124793741
9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155838823
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617
(5S)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124804274
9-N-(4-methylphenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134074033
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
(5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396165

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The IUPAC name of 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide (CID 131645622) is 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide.
What is the SMILES notation for 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The canonical SMILES for 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is O=C(NCC1CCCO1)C1=NOC2(CCN(C(=O)Nc3ccccc3)C2)C1.
What is the InChIKey of 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
The InChIKey is KEAJMPWKLODTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-17(20-12-15-7-4-10-26-15)16-11-19(27-22-16)8-9-23(13-19)18(25)21-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,24)(H,21,25).
What are the key properties of 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide?
3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide is sourced from PubChem (CID 131645622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).