tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate

C18H30N2O3 — CID 107242887

IUPACtert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
SMILESCCC(NCCCN(C(=O)OC(C)(C)C)C1CC1)c1ccco1
InChIInChI=1S/C18H30N2O3/c1-5-15(16-8-6-13-22-16)19-11-7-12-20(14-9-10-14)17(21)23-18(2,3)4/h6,8,13-15,19H,5,7,9-12H2,1-4H3
InChIKeySGGALMVTOQRCSE-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.11
Rot. Bonds8

About tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate

tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate (PubChem CID 107242887) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
PubChem CID107242887
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
SMILESCCC(NCCCN(C(=O)OC(C)(C)C)C1CC1)c1ccco1
InChIInChI=1S/C18H30N2O3/c1-5-15(16-8-6-13-22-16)19-11-7-12-20(14-9-10-14)17(21)23-18(2,3)4/h6,8,13-15,19H,5,7,9-12H2,1-4H3
InChIKeySGGALMVTOQRCSE-UHFFFAOYSA-N
XLogP4.11
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
CID 107246314
tert-butyl 2-[1-(furan-2-yl)propylamino]acetate
CID 81463030
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
CID 103781366
tert-butyl N-ethyl-N-[3-[1-(furan-2-yl)ethylamino]propyl]carbamate
CID 103781324
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
tert-butyl N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]-N-methylcarbamate
CID 104924777
tert-butyl N-cyclopropyl-N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111168065
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate (CID 107242887) is tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate is CCC(NCCCN(C(=O)OC(C)(C)C)C1CC1)c1ccco1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate?
The InChIKey is SGGALMVTOQRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-15(16-8-6-13-22-16)19-11-7-12-20(14-9-10-14)17(21)23-18(2,3)4/h6,8,13-15,19H,5,7,9-12H2,1-4H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate?
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 4.11, 8 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-[3-[1-(furan-2-yl)propylamino]propyl]carbamate is sourced from PubChem (CID 107242887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).