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

C73H86Cl2N4O12 — CID 91176723

IUPACN-(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
SMILESCC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1.CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(Cc4ccc(OCc5ccccc5)cc4)cc3)C(=O)C(C)(C)C)c2)c(C(C)(C)CC)c1
InChIInChI=1S/C53H63ClN2O6.C20H23ClN2O6/c1-10-52(6,7)39-23-30-46(43(33-39)53(8,9)11-2)60-31-15-18-47(57)55-40-24-29-44(54)45(34-40)56-50(59)48(49(58)51(3,4)5)62-42-27-21-37(22-28-42)32-36-19-25-41(26-20-36)61-35-38-16-13-12-14-17-38;1-10(24)11-7-8-12(21)13(9-11)22-16(26)14(15(25)19(2,3)4)23-17(27)20(5,6)29-18(23)28/h12-14,16-17,19-30,33-34,48H,10-11,15,18,31-32,35H2,1-9H3,(H,55,57)(H,56,59);7-9,14H,1-6H3,(H,22,26)
InChIKeyWXRIGMFFQZECJO-UHFFFAOYSA-N
MW1282.41 g/mol
LogP15.91
Rot. Bonds25

About 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

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 (PubChem CID 91176723) has the molecular formula C73H86Cl2N4O12 and a molecular weight of 1282.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID91176723
Molecular FormulaC73H86Cl2N4O12
Molecular Weight1282.41 g/mol
Exact Mass1280.56
IUPAC NameN-(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
SMILESCC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1.CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(Cc4ccc(OCc5ccccc5)cc4)cc3)C(=O)C(C)(C)C)c2)c(C(C)(C)CC)c1
InChIInChI=1S/C53H63ClN2O6.C20H23ClN2O6/c1-10-52(6,7)39-23-30-46(43(33-39)53(8,9)11-2)60-31-15-18-47(57)55-40-24-29-44(54)45(34-40)56-50(59)48(49(58)51(3,4)5)62-42-27-21-37(22-28-42)32-36-19-25-41(26-20-36)61-35-38-16-13-12-14-17-38;1-10(24)11-7-8-12(21)13(9-11)22-16(26)14(15(25)19(2,3)4)23-17(27)20(5,6)29-18(23)28/h12-14,16-17,19-30,33-34,48H,10-11,15,18,31-32,35H2,1-9H3,(H,55,57)(H,56,59);7-9,14H,1-6H3,(H,22,26)
InChIKeyWXRIGMFFQZECJO-UHFFFAOYSA-N
XLogP15.91
TPSA212.81 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.41
LogP ≤ 515.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenyl]pentanamide
CID 58613083
N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]octadecanamide;N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxobutanamide
CID 91020069
(2S)-N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-chloro-4,4-dimethyl-3-oxopentanamide
CID 7072431
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
N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
CID 59929453
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-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitrophenoxy]-4,4-dimethyl-3-oxopentanamide
CID 174452096
(2R)-N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-[4-nitro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenoxy]-3-oxopentanamide
CID 99660271
N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-[4-nitro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenoxy]-3-oxopentanamide
CID 3089138
N-[3-[[1-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3,3-dimethyl-2-oxobutyl]amino]-4-chlorophenyl]-2-(2,4-dimethylphenoxy)butanamide;dodecyl 3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate;(4-phenylmethoxyphenyl) 4-[1-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzenesulfinate
CID 90873137
N-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-2-chloro-4,4-dimethyl-3-oxopentanamide
CID 20559200
4-[1-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]anilino]-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
CID 21436954

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1.CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(Cc4ccc(OCc5ccccc5)cc4)cc3)C(=O)C(C)(C)C)c2)c(C(C)(C)CC)c1.
What is the InChIKey of 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?
The InChIKey is WXRIGMFFQZECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H63ClN2O6.C20H23ClN2O6/c1-10-52(6,7)39-23-30-46(43(33-39)53(8,9)11-2)60-31-15-18-47(57)55-40-24-29-44(54)45(34-40)56-50(59)48(49(58)51(3,4)5)62-42-27-21-37(22-28-42)32-36-19-25-41(26-20-36)61-35-38-16-13-12-14-17-38;1-10(24)11-7-8-12(21)13(9-11)22-16(26)14(15(25)19(2,3)4)23-17(27)20(5,6)29-18(23)28/h12-14,16-17,19-30,33-34,48H,10-11,15,18,31-32,35H2,1-9H3,(H,55,57)(H,56,59);7-9,14H,1-6H3,(H,22,26).
What are the key properties of 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?
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 has a molecular weight of 1282.41 g/mol, XLogP of 15.91, 25 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91176723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).