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

C22H27NO3 — CID 175498011

IUPAC[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCCCOc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3OC(N)=O)cc1C
InChIInChI=1S/C22H27NO3/c1-5-10-25-19-9-7-15(11-14(19)2)16-6-8-18-17(12-16)13-22(3,4)20(18)26-21(23)24/h6-9,11-12,20H,5,10,13H2,1-4H3,(H2,23,24)/t20-/m0/s1
InChIKeyPRNNTTVXVBZUMF-FQEVSTJZSA-N
MW353.46 g/mol
LogP5.17
Rot. Bonds5

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

[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175498011) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
PubChem CID175498011
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCCCOc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3OC(N)=O)cc1C
InChIInChI=1S/C22H27NO3/c1-5-10-25-19-9-7-15(11-14(19)2)16-6-8-18-17(12-16)13-22(3,4)20(18)26-21(23)24/h6-9,11-12,20H,5,10,13H2,1-4H3,(H2,23,24)/t20-/m0/s1
InChIKeyPRNNTTVXVBZUMF-FQEVSTJZSA-N
XLogP5.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[5-(3,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296717
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl]carbamic acid
CID 174172326
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936
[5-(3,5-dimethyl-4-propoxyphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296774
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[5-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296893
[(1R)-5-(4-ethoxy-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172447
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[(1R)-6-ethoxy-5-(4-ethoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498027
[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296942
[(1R)-5-(3-fluoro-4-propoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172416

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate (CID 175498011) is [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate is CCCOc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3OC(N)=O)cc1C.
What is the InChIKey of [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is PRNNTTVXVBZUMF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-10-25-19-9-7-15(11-14(19)2)16-6-8-18-17(12-16)13-22(3,4)20(18)26-21(23)24/h6-9,11-12,20H,5,10,13H2,1-4H3,(H2,23,24)/t20-/m0/s1.
What are the key properties of [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate?
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 353.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175498011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).