N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide

C22H24N4O3 — CID 91888876

IUPACN-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)NO3)c1
InChIInChI=1S/C22H24N4O3/c1-15-6-8-17(9-7-15)20-24-22(29-25-20)10-12-26(13-11-22)21(28)18-4-3-5-19(14-18)23-16(2)27/h3-9,14H,10-13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyDRCHMPUNQZKFBU-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.87
Rot. Bonds3

About N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide

N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide (PubChem CID 91888876) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
PubChem CID91888876
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)NO3)c1
InChIInChI=1S/C22H24N4O3/c1-15-6-8-17(9-7-15)20-24-22(29-25-20)10-12-26(13-11-22)21(28)18-4-3-5-19(14-18)23-16(2)27/h3-9,14H,10-13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyDRCHMPUNQZKFBU-UHFFFAOYSA-N
XLogP2.87
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(3-fluorophenyl)methanone
CID 91888940
(2-chlorophenyl)-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]methanone
CID 91906506
(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
CID 91888924
[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(4-methoxyphenyl)methanone
CID 91888865
3-(3-methoxyphenyl)-1-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]propan-1-one
CID 91906500
N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369218
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875
N-[3-(6,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 108758014
N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
CID 62044906
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide (CID 91888876) is N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)N=C(c2ccc(C)cc2)NO3)c1.
What is the InChIKey of N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide?
The InChIKey is DRCHMPUNQZKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-8-17(9-7-15)20-24-22(29-25-20)10-12-26(13-11-22)21(28)18-4-3-5-19(14-18)23-16(2)27/h3-9,14H,10-13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide?
N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide is sourced from PubChem (CID 91888876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).