[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C24H31NO4 — CID 175296774

IUPAC[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCCCOc1c(C)cc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)cc1C
InChIInChI=1S/C24H31NO4/c1-7-8-28-21-14(2)9-16(10-15(21)3)18-11-17-13-24(4,5)22(29-23(25)26)19(17)12-20(18)27-6/h9-12,22H,7-8,13H2,1-6H3,(H2,25,26)
InChIKeyAJMKZEHEWUZDRD-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.49
Rot. Bonds6

About [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296774) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296774
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCCCOc1c(C)cc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)cc1C
InChIInChI=1S/C24H31NO4/c1-7-8-28-21-14(2)9-16(10-15(21)3)18-11-17-13-24(4,5)22(29-23(25)26)19(17)12-20(18)27-6/h9-12,22H,7-8,13H2,1-6H3,(H2,25,26)
InChIKeyAJMKZEHEWUZDRD-UHFFFAOYSA-N
XLogP5.49
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate with MolForge

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Related Compounds

[6-methoxy-5-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296896
[5-(4-butoxy-3,5-dimethylphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296671
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175498011
[5-(4-tert-butylphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296888
[(1R)-6-ethoxy-5-(4-ethoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498027
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936
[6-fluoro-5-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296812
[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296893
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296715
[6-methoxy-3,3-dimethyl-7-[4-(2-methylpropoxy)phenyl]-2,4-dihydrochromen-4-yl] carbamate
CID 175254124

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296774) is [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CCCOc1c(C)cc(-c2cc3c(cc2OC)C(OC(N)=O)C(C)(C)C3)cc1C.
What is the InChIKey of [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is AJMKZEHEWUZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-7-8-28-21-14(2)9-16(10-15(21)3)18-11-17-13-24(4,5)22(29-23(25)26)19(17)12-20(18)27-6/h9-12,22H,7-8,13H2,1-6H3,(H2,25,26).
What are the key properties of [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 397.52 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).