N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide

C19H23ClN2O5 — CID 22947164

IUPACN-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
SMILESCc1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C19H23ClN2O5/c1-10-7-8-11(20)12(9-10)21-15(24)13(14(23)18(2,3)4)22-16(25)19(5,6)27-17(22)26/h7-9,13H,1-6H3,(H,21,24)
InChIKeyOCMULKKHOXLFEC-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.33
Rot. Bonds4

About N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide

N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide (PubChem CID 22947164) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
PubChem CID22947164
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC NameN-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
SMILESCc1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C19H23ClN2O5/c1-10-7-8-11(20)12(9-10)21-15(24)13(14(23)18(2,3)4)22-16(25)19(5,6)27-17(22)26/h7-9,13H,1-6H3,(H,21,24)
InChIKeyOCMULKKHOXLFEC-UHFFFAOYSA-N
XLogP3.33
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide
CID 23562166
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-methoxy-5-(2-methylprop-2-enoylamino)phenyl]-4,4-dimethyl-3-oxopentanamide
CID 21350476
N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 15065657
2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
CID 23380028
1-[dimethylcarbamoyl(methyl)amino]propan-2-yl 4-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-3-propan-2-yloxybenzoate
CID 20710505
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-methoxyphenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 23525004
N-[2-chloro-5-[2-(2,4-dipentylphenoxy)butanoylamino]phenyl]-2-(2,4-dioxo-5,5-dipropyl-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 101318490
ethyl 2-[(2-chloro-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 104918215
N-(5-acetyl-2-chlorophenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[(4-phenylmethoxyphenyl)methyl]phenoxy]pentanamide
CID 91176723
N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
CID 136649227
N-[3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3-(1-ethylcyclopropyl)-3-oxopropanoyl]amino]-4-chlorophenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide;N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N'-methyl-N'-phenylpropanediamide
CID 91536515

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide (CID 22947164) is N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide is Cc1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide?
The InChIKey is OCMULKKHOXLFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-10-7-8-11(20)12(9-10)21-15(24)13(14(23)18(2,3)4)22-16(25)19(5,6)27-17(22)26/h7-9,13H,1-6H3,(H,21,24).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide?
N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 394.86 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 22947164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).