tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate

C20H30N2O4 — CID 11810576

IUPACtert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCCCN(C)C(=O)Oc1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H30N2O4/c1-7-12-21(5)18(23)25-15-10-8-14-9-11-17(16(14)13-15)22(6)19(24)26-20(2,3)4/h8,10,13,17H,7,9,11-12H2,1-6H3
InChIKeyJDTNLBRUYPORTI-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 11810576) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID11810576
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCCCN(C)C(=O)Oc1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C20H30N2O4/c1-7-12-21(5)18(23)25-15-10-8-14-9-11-17(16(14)13-15)22(6)19(24)26-20(2,3)4/h8,10,13,17H,7,9,11-12H2,1-6H3
InChIKeyJDTNLBRUYPORTI-UHFFFAOYSA-N
XLogP4.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Rivastigmine
CID 77991
Ladostigil
CID 208907
3-[1-(Dimethylamino)ethyl]phenyl ethyl(methyl)carbamate
CID 5077
[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 23645310
(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate
CID 9882343
3-amino-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate
CID 10934114
1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate
CID 11727038
1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate
CID 10859051
3-(methylamino)-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate
CID 10890965
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate
CID 10913884
3-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarbamate
CID 10945064
1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methylcarbamate
CID 11012293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate (CID 11810576) is tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate is CCCN(C)C(=O)Oc1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is JDTNLBRUYPORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-7-12-21(5)18(23)25-15-10-8-14-9-11-17(16(14)13-15)22(6)19(24)26-20(2,3)4/h8,10,13,17H,7,9,11-12H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 11810576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).