tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate

C17H28N2O3 — CID 107246314

IUPACtert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
SMILESCC(Cc1ccco1)NCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H28N2O3/c1-13(12-15-6-5-11-21-15)18-9-10-19(14-7-8-14)16(20)22-17(2,3)4/h5-6,11,13-14,18H,7-10,12H2,1-4H3
InChIKeyJPKMZUAPMWDGQR-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.20
Rot. Bonds7

About tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate

tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate (PubChem CID 107246314) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
PubChem CID107246314
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
SMILESCC(Cc1ccco1)NCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C17H28N2O3/c1-13(12-15-6-5-11-21-15)18-9-10-19(14-7-8-14)16(20)22-17(2,3)4/h5-6,11,13-14,18H,7-10,12H2,1-4H3
InChIKeyJPKMZUAPMWDGQR-UHFFFAOYSA-N
XLogP3.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256902
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
CID 107242887
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cyclopropyl-N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl]carbamate
CID 103894803
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 106633307
tert-butyl N-cyclopropyl-N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111168065
tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245973
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-cyclopropylcarbamate
CID 107246317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate (CID 107246314) is tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate is CC(Cc1ccco1)NCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate?
The InChIKey is JPKMZUAPMWDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(12-15-6-5-11-21-15)18-9-10-19(14-7-8-14)16(20)22-17(2,3)4/h5-6,11,13-14,18H,7-10,12H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate?
tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate is sourced from PubChem (CID 107246314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).