N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C19H20N4O3 — CID 131691420

IUPACN-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NOC2(CCCN(C(=O)c3cc[nH]c3)C2)C1
InChIInChI=1S/C19H20N4O3/c24-17(21-15-5-2-1-3-6-15)16-11-19(26-22-16)8-4-10-23(13-19)18(25)14-7-9-20-12-14/h1-3,5-7,9,12,20H,4,8,10-11,13H2,(H,21,24)
InChIKeyCHGRYKVRKSLRJJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.40
Rot. Bonds3

About N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131691420) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131691420
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NOC2(CCCN(C(=O)c3cc[nH]c3)C2)C1
InChIInChI=1S/C19H20N4O3/c24-17(21-15-5-2-1-3-6-15)16-11-19(26-22-16)8-4-10-23(13-19)18(25)14-7-9-20-12-14/h1-3,5-7,9,12,20H,4,8,10-11,13H2,(H,21,24)
InChIKeyCHGRYKVRKSLRJJ-UHFFFAOYSA-N
XLogP2.40
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691289
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
formic acid;9-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155872974
N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079607
(5R)-9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491056
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075704

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131691420) is N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1ccccc1)C1=NOC2(CCCN(C(=O)c3cc[nH]c3)C2)C1.
What is the InChIKey of N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is CHGRYKVRKSLRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17(21-15-5-2-1-3-6-15)16-11-19(26-22-16)8-4-10-23(13-19)18(25)14-7-9-20-12-14/h1-3,5-7,9,12,20H,4,8,10-11,13H2,(H,21,24).
What are the key properties of N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131691420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).