[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate

C80H90N4O25 — CID 90844140

IUPAC[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate
SMILESCOCOc1cc(COC(=O)Nc2ccc(C)cc2)ccc1C1OCCO1.COc1cc(C2OCCO2)c(O)cc1COC(=O)Nc1ccc(C)cc1.COc1cc(C2OCCO2)c(OC(C)=O)cc1COC(=O)Nc1ccc(C)cc1.COc1cc(C2OCCO2)c(OC)cc1COC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H23NO7.2C20H23NO6.C19H21NO6/c1-13-4-6-16(7-5-13)22-21(24)28-12-15-10-19(29-14(2)23)17(11-18(15)25-3)20-26-8-9-27-20;1-13-4-6-15(7-5-13)21-20(22)27-12-14-10-18(24-3)16(11-17(14)23-2)19-25-8-9-26-19;1-14-3-6-16(7-4-14)21-20(22)26-12-15-5-8-17(19-24-9-10-25-19)18(11-15)27-13-23-2;1-12-3-5-14(6-4-12)20-19(22)26-11-13-9-16(21)15(10-17(13)23-2)18-24-7-8-25-18/h4-7,10-11,20H,8-9,12H2,1-3H3,(H,22,24);4-7,10-11,19H,8-9,12H2,1-3H3,(H,21,22);3-8,11,19H,9-10,12-13H2,1-2H3,(H,21,22);3-6,9-10,18,21H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyLFRFYRPMLQLBKE-UHFFFAOYSA-N
MW1507.60 g/mol
LogP14.80
Rot. Bonds24

About [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate

[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate (PubChem CID 90844140) has the molecular formula C80H90N4O25 and a molecular weight of 1507.60 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate
PubChem CID90844140
Molecular FormulaC80H90N4O25
Molecular Weight1507.60 g/mol
Exact Mass1506.59
IUPAC Name[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate
SMILESCOCOc1cc(COC(=O)Nc2ccc(C)cc2)ccc1C1OCCO1.COc1cc(C2OCCO2)c(O)cc1COC(=O)Nc1ccc(C)cc1.COc1cc(C2OCCO2)c(OC(C)=O)cc1COC(=O)Nc1ccc(C)cc1.COc1cc(C2OCCO2)c(OC)cc1COC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H23NO7.2C20H23NO6.C19H21NO6/c1-13-4-6-16(7-5-13)22-21(24)28-12-15-10-19(29-14(2)23)17(11-18(15)25-3)20-26-8-9-27-20;1-13-4-6-15(7-5-13)21-20(22)27-12-14-10-18(24-3)16(11-17(14)23-2)19-25-8-9-26-19;1-14-3-6-16(7-4-14)21-20(22)26-12-15-5-8-17(19-24-9-10-25-19)18(11-15)27-13-23-2;1-12-3-5-14(6-4-12)20-19(22)26-11-13-9-16(21)15(10-17(13)23-2)18-24-7-8-25-18/h4-7,10-11,20H,8-9,12H2,1-3H3,(H,22,24);4-7,10-11,19H,8-9,12H2,1-3H3,(H,21,22);3-8,11,19H,9-10,12-13H2,1-2H3,(H,21,22);3-6,9-10,18,21H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyLFRFYRPMLQLBKE-UHFFFAOYSA-N
XLogP14.80
TPSA329.07 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.60
LogP ≤ 514.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate with MolForge

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Related Compounds

[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
CID 22095150
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
CID 169175352
(3,4-dimethoxyphenyl)methyl N-[4-[[4-[(3,4-dimethoxyphenyl)methoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 43835656
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate
CID 23074357
[4-[(4-methylphenyl)carbamothioyloxymethyl]phenyl] acetate
CID 154605991
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434
2-[(4-acetyloxy-3-methoxyphenyl)methoxycarbonylamino]acetic acid
CID 123520978
(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
CID 171824401
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 71658420

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate?
The IUPAC name of [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate (CID 90844140) is [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate is COCOc1cc(COC(=O)Nc2ccc(C)cc2)ccc1C1OCCO1.COc1cc(C2OCCO2)c(O)cc1COC(=O)Nc1ccc(C)cc1.COc1cc(C2OCCO2)c(OC(C)=O)cc1COC(=O)Nc1ccc(C)cc1.COc1cc(C2OCCO2)c(OC)cc1COC(=O)Nc1ccc(C)cc1.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate?
The InChIKey is LFRFYRPMLQLBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO7.2C20H23NO6.C19H21NO6/c1-13-4-6-16(7-5-13)22-21(24)28-12-15-10-19(29-14(2)23)17(11-18(15)25-3)20-26-8-9-27-20;1-13-4-6-15(7-5-13)21-20(22)27-12-14-10-18(24-3)16(11-17(14)23-2)19-25-8-9-26-19;1-14-3-6-16(7-4-14)21-20(22)26-12-15-5-8-17(19-24-9-10-25-19)18(11-15)27-13-23-2;1-12-3-5-14(6-4-12)20-19(22)26-11-13-9-16(21)15(10-17(13)23-2)18-24-7-8-25-18/h4-7,10-11,20H,8-9,12H2,1-3H3,(H,22,24);4-7,10-11,19H,8-9,12H2,1-3H3,(H,21,22);3-8,11,19H,9-10,12-13H2,1-2H3,(H,21,22);3-6,9-10,18,21H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate?
[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate has a molecular weight of 1507.60 g/mol, XLogP of 14.80, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate is sourced from PubChem (CID 90844140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).