bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)

C126H142N10O28 — CID 158523163

IUPACbis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)
SMILESCCc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.CCc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.COc1ccc(OC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.COc1ccc(OC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1
InChIInChI=1S/2C32H37N3O6.2C31H34N2O8/c2*1-6-24-10-13-27(14-11-24)33-31(38)35-29-18-28(12-8-21(29)3)34-32(39)41-23(5)19-40-30(37)17-25-9-7-20(2)26(16-25)15-22(4)36;2*1-19-6-8-23(15-24(19)14-21(3)34)16-29(35)39-18-22(4)40-30(36)32-25-9-7-20(2)28(17-25)33-31(37)41-27-12-10-26(38-5)11-13-27/h2*7-14,16,18,23H,6,15,17,19H2,1-5H3,(H,34,39)(H2,33,35,38);2*6-13,15,17,22H,14,16,18H2,1-5H3,(H,32,36)(H,33,37)
InChIKeyHMLUQIQWEROHPO-UHFFFAOYSA-N
MW2244.56 g/mol
LogP24.28
Rot. Bonds44

About bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)

bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate) (PubChem CID 158523163) has the molecular formula C126H142N10O28 and a molecular weight of 2244.56 g/mol. Its IUPAC name is bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate).

Molecular Properties

Compound Namebis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)
PubChem CID158523163
Molecular FormulaC126H142N10O28
Molecular Weight2244.56 g/mol
Exact Mass2243.00
IUPAC Namebis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)
SMILESCCc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.CCc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.COc1ccc(OC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.COc1ccc(OC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1
InChIInChI=1S/2C32H37N3O6.2C31H34N2O8/c2*1-6-24-10-13-27(14-11-24)33-31(38)35-29-18-28(12-8-21(29)3)34-32(39)41-23(5)19-40-30(37)17-25-9-7-20(2)26(16-25)15-22(4)36;2*1-19-6-8-23(15-24(19)14-21(3)34)16-29(35)39-18-22(4)40-30(36)32-25-9-7-20(2)28(17-25)33-31(37)41-27-12-10-26(38-5)11-13-27/h2*7-14,16,18,23H,6,15,17,19H2,1-5H3,(H,34,39)(H2,33,35,38);2*6-13,15,17,22H,14,16,18H2,1-5H3,(H,32,36)(H,33,37)
InChIKeyHMLUQIQWEROHPO-UHFFFAOYSA-N
XLogP24.28
TPSA504.18 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds44
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.56
LogP ≤ 524.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate) with MolForge

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Related Compounds

2-[[3-(3,3-dimethylbutoxycarbonylamino)-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-(3,3-dimethylbutoxy)-2-oxoethyl]-4-methylphenyl]acetate
CID 164956363
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
2-[[2-methyl-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-3-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]phenyl]acetyl]oxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxycarbonylamino]phenyl]carbamoyloxy]ethyl (E)-4-trimethoxysilylbut-2-enoate
CID 157494160
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
2-[4-[1-[2-[[4-methyl-3-(2-methylpropanoylamino)phenyl]carbamoyloxy]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-[3-(3,3-dimethyl-2-oxobutyl)-4-methylphenyl]acetate
CID 157310369
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
[4-(2,4,4-trimethylpentan-2-yl)phenyl] N-[2-methyl-5-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]carbonylamino]phenyl]carbamate
CID 67180291
(4-acetamidophenyl) N-(3-ethylphenyl)carbamate
CID 3406901
2-(2-aminoacetyl)oxypropyl 2-(4-acetyloxyphenyl)acetate
CID 176672900
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534348
4-methoxy-N-[3-methyl-1-[2-methyl-5-(phenylcarbamoylamino)anilino]-1-oxobutan-2-yl]benzamide
CID 55700697

Frequently Asked Questions

What is the IUPAC name of bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)?
The IUPAC name of bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate) (CID 158523163) is bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate).
What is the SMILES notation for bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)?
The canonical SMILES for bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate) is CCc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.CCc1ccc(NC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.COc1ccc(OC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.COc1ccc(OC(=O)Nc2cc(NC(=O)OC(C)COC(=O)Cc3ccc(C)c(CC(C)=O)c3)ccc2C)cc1.
What is the InChIKey of bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)?
The InChIKey is HMLUQIQWEROHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H37N3O6.2C31H34N2O8/c2*1-6-24-10-13-27(14-11-24)33-31(38)35-29-18-28(12-8-21(29)3)34-32(39)41-23(5)19-40-30(37)17-25-9-7-20(2)26(16-25)15-22(4)36;2*1-19-6-8-23(15-24(19)14-21(3)34)16-29(35)39-18-22(4)40-30(36)32-25-9-7-20(2)28(17-25)33-31(37)41-27-12-10-26(38-5)11-13-27/h2*7-14,16,18,23H,6,15,17,19H2,1-5H3,(H,34,39)(H2,33,35,38);2*6-13,15,17,22H,14,16,18H2,1-5H3,(H,32,36)(H,33,37).
What are the key properties of bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate)?
bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate) has a molecular weight of 2244.56 g/mol, XLogP of 24.28, 44 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[3-[(4-ethylphenyl)carbamoylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate);bis(2-[[3-[(4-methoxyphenoxy)carbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[4-methyl-3-(2-oxopropyl)phenyl]acetate) is sourced from PubChem (CID 158523163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).