N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C20H23F2N3O3 — CID 91132326

IUPACN-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(C=C(C(=O)NCC4CC4)NO3)CC2)c(F)c1F
InChIInChI=1S/C20H23F2N3O3/c1-12-2-5-14(17(22)16(12)21)19(27)25-8-6-20(7-9-25)10-15(24-28-20)18(26)23-11-13-3-4-13/h2,5,10,13,24H,3-4,6-9,11H2,1H3,(H,23,26)
InChIKeyALQMPROOQYDFTP-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.19
Rot. Bonds4

About N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91132326) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91132326
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(C=C(C(=O)NCC4CC4)NO3)CC2)c(F)c1F
InChIInChI=1S/C20H23F2N3O3/c1-12-2-5-14(17(22)16(12)21)19(27)25-8-6-20(7-9-25)10-15(24-28-20)18(26)23-11-13-3-4-13/h2,5,10,13,24H,3-4,6-9,11H2,1H3,(H,23,26)
InChIKeyALQMPROOQYDFTP-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N1-(2-(4-(((2-(3,4-difluorophenyl)cyclopropyl)amino)methyl)piperidin-1-yl)ethyl)-N4-hydroxyterephthalamide TFA Salt
CID 132138143
N-[2-(2-fluorophenyl)-1-(1-piperidinylcarbonyl)vinyl]-4-methylbenzamide
CID 1047048
2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 24715788
N-Cyclopropyl-2-[1-(2-fluorobenzoyl)piperidin-4-YL]-2-[(4-methylphenyl)formamido]acetamide
CID 46020508
2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024341
2-cyclopentyl-N-ethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024725
2-cyclopentyl-N-ethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024726
N-butyl-1-(3-fluoro-4-methylbenzoyl)-2-methylpiperidine-2-carboxamide
CID 49790267
N-{[(3S4R)-3-(Dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-YL]methyl}acetamide
CID 91920886
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzamide
CID 177377681
N-[3-(hydroxyamino)-3-oxopropyl]-4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzamide
CID 177377682
4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 177377695

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91132326) is N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is Cc1ccc(C(=O)N2CCC3(C=C(C(=O)NCC4CC4)NO3)CC2)c(F)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is ALQMPROOQYDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-12-2-5-14(17(22)16(12)21)19(27)25-8-6-20(7-9-25)10-15(24-28-20)18(26)23-11-13-3-4-13/h2,5,10,13,24H,3-4,6-9,11H2,1H3,(H,23,26).
What are the key properties of N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91132326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).