tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate

C17H27N3O3 — CID 67621078

IUPACtert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCN(C(=O)OC(C)(C)C)c1cc(N)cc2c1OCC2
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20(8-7-19(4)5)14-11-13(18)10-12-6-9-22-15(12)14/h10-11H,6-9,18H2,1-5H3
InChIKeyUFUSACVYUTZNIN-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate

tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 67621078) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate
PubChem CID67621078
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCN(C(=O)OC(C)(C)C)c1cc(N)cc2c1OCC2
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20(8-7-19(4)5)14-11-13(18)10-12-6-9-22-15(12)14/h10-11H,6-9,18H2,1-5H3
InChIKeyUFUSACVYUTZNIN-UHFFFAOYSA-N
XLogP2.51
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate (CID 67621078) is tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate is CN(C)CCN(C(=O)OC(C)(C)C)c1cc(N)cc2c1OCC2.
What is the InChIKey of tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is UFUSACVYUTZNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20(8-7-19(4)5)14-11-13(18)10-12-6-9-22-15(12)14/h10-11H,6-9,18H2,1-5H3.
What are the key properties of tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate?
tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-2,3-dihydro-1-benzofuran-7-yl)-N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 67621078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).