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

C68H81Cl2N7O12 — CID 91536515

IUPACN-[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
SMILESCCOC1C(=O)N(C(C(=O)Nc2cc(NC(=O)C(CC)Oc3ccc(C(C)(C)CC)cc3C(C)(C)CC)ccc2Cl)C(=O)C2(CC)CC2)C(=O)N1Cc1ccccc1.Cc1ccc(Cl)c(NC(=O)C(C(=O)N(C)c2ccccc2)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C46H59ClN4O7.C22H22ClN3O5/c1-10-35(58-36-23-20-30(44(6,7)11-2)26-32(36)45(8,9)12-3)39(53)48-31-21-22-33(47)34(27-31)49-40(54)37(38(52)46(13-4)24-25-46)51-41(55)42(57-14-5)50(43(51)56)28-29-18-16-15-17-19-29;1-13-10-11-15(23)16(12-13)24-18(27)17(26-20(29)22(2,3)31-21(26)30)19(28)25(4)14-8-6-5-7-9-14/h15-23,26-27,35,37,42H,10-14,24-25,28H2,1-9H3,(H,48,53)(H,49,54);5-12,17H,1-4H3,(H,24,27)
InChIKeyWVUIXBHWGBZXNM-UHFFFAOYSA-N
MW1259.34 g/mol
LogP12.78
Rot. Bonds24

About 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

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 (PubChem CID 91536515) has the molecular formula C68H81Cl2N7O12 and a molecular weight of 1259.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID91536515
Molecular FormulaC68H81Cl2N7O12
Molecular Weight1259.34 g/mol
Exact Mass1257.53
IUPAC NameN-[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
SMILESCCOC1C(=O)N(C(C(=O)Nc2cc(NC(=O)C(CC)Oc3ccc(C(C)(C)CC)cc3C(C)(C)CC)ccc2Cl)C(=O)C2(CC)CC2)C(=O)N1Cc1ccccc1.Cc1ccc(Cl)c(NC(=O)C(C(=O)N(C)c2ccccc2)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C46H59ClN4O7.C22H22ClN3O5/c1-10-35(58-36-23-20-30(44(6,7)11-2)26-32(36)45(8,9)12-3)39(53)48-31-21-22-33(47)34(27-31)49-40(54)37(38(52)46(13-4)24-25-46)51-41(55)42(57-14-5)50(43(51)56)28-29-18-16-15-17-19-29;1-13-10-11-15(23)16(12-13)24-18(27)17(26-20(29)22(2,3)31-21(26)30)19(28)25(4)14-8-6-5-7-9-14/h15-23,26-27,35,37,42H,10-14,24-25,28H2,1-9H3,(H,48,53)(H,49,54);5-12,17H,1-4H3,(H,24,27)
InChIKeyWVUIXBHWGBZXNM-UHFFFAOYSA-N
XLogP12.78
TPSA230.37 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.34
LogP ≤ 512.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[3-[[2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-3-(1-ethylcyclopropyl)-3-oxopropanoyl]amino]-4-chlorophenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 21338062
2-(1-benzyl-5-ethoxy-2,4-dioxopyrrolidin-3-yl)-N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide
CID 22085941
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-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-[2-chloro-5-[1-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]propoxymethylamino]phenyl]-4,4-dimethyl-3-oxopentanamide
CID 20722333
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-[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
N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-4,4-dimethyl-3-oxopentanamide
CID 21447918
2-(1-benzyl-3-oxido-5-oxo-2-phenyltriazolidin-4-yl)-N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide
CID 88694689
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]phenyl]butanamide
CID 21447911
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[3-(2-methyl-1,3-dithiolan-2-yl)-3-oxopropanoyl]amino]phenyl]butanamide
CID 139624753
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
2-[4-tert-butyl-2-(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[(1,3-diethylbenzimidazol-2-ylidene)amino]carbamoylamino]phenyl]butanamide
CID 20580508

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC1C(=O)N(C(C(=O)Nc2cc(NC(=O)C(CC)Oc3ccc(C(C)(C)CC)cc3C(C)(C)CC)ccc2Cl)C(=O)C2(CC)CC2)C(=O)N1Cc1ccccc1.Cc1ccc(Cl)c(NC(=O)C(C(=O)N(C)c2ccccc2)N2C(=O)OC(C)(C)C2=O)c1.
What is the InChIKey of 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?
The InChIKey is WVUIXBHWGBZXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H59ClN4O7.C22H22ClN3O5/c1-10-35(58-36-23-20-30(44(6,7)11-2)26-32(36)45(8,9)12-3)39(53)48-31-21-22-33(47)34(27-31)49-40(54)37(38(52)46(13-4)24-25-46)51-41(55)42(57-14-5)50(43(51)56)28-29-18-16-15-17-19-29;1-13-10-11-15(23)16(12-13)24-18(27)17(26-20(29)22(2,3)31-21(26)30)19(28)25(4)14-8-6-5-7-9-14/h15-23,26-27,35,37,42H,10-14,24-25,28H2,1-9H3,(H,48,53)(H,49,54);5-12,17H,1-4H3,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 1259.34 g/mol, XLogP of 12.78, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91536515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).