tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate

C18H28N2O3 — CID 103780562

IUPACtert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
SMILESCOc1ccc2c(c1)C(NCCN(C)C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20(4)11-10-19-16-9-7-13-6-8-14(22-5)12-15(13)16/h6,8,12,16,19H,7,9-11H2,1-5H3
InChIKeyXITDJQMFHSGRQQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate (PubChem CID 103780562) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
PubChem CID103780562
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
SMILESCOc1ccc2c(c1)C(NCCN(C)C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20(4)11-10-19-16-9-7-13-6-8-14(22-5)12-15(13)16/h6,8,12,16,19H,7,9-11H2,1-5H3
InChIKeyXITDJQMFHSGRQQ-UHFFFAOYSA-N
XLogP3.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107682749
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107245207
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
CID 79366778
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
CID 15908437
6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79551905
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate (CID 103780562) is tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate is COc1ccc2c(c1)C(NCCN(C)C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
The InChIKey is XITDJQMFHSGRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20(4)11-10-19-16-9-7-13-6-8-14(22-5)12-15(13)16/h6,8,12,16,19H,7,9-11H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate has a molecular weight of 320.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 103780562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).