tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate

C18H26N2O3 — CID 107237507

IUPACtert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H26N2O3/c1-11(12-5-6-16-13(9-12)7-8-22-16)19-14-10-15(14)20-17(21)23-18(2,3)4/h5-6,9,11,14-15,19H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyQRQQPBIVVCXBGT-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate (PubChem CID 107237507) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
PubChem CID107237507
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H26N2O3/c1-11(12-5-6-16-13(9-12)7-8-22-16)19-14-10-15(14)20-17(21)23-18(2,3)4/h5-6,9,11,14-15,19H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyQRQQPBIVVCXBGT-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107238193
tert-butyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]piperidine-1-carboxylate
CID 113261588
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842
tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate
CID 146515239
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
CID 107238045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate (CID 107237507) is tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate is CC(NC1CC1NC(=O)OC(C)(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate?
The InChIKey is QRQQPBIVVCXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(12-5-6-16-13(9-12)7-8-22-16)19-14-10-15(14)20-17(21)23-18(2,3)4/h5-6,9,11,14-15,19H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107237507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).