tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate

C16H28N2O4 — CID 103386932

IUPACtert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCc1ccco1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(19)17-9-5-7-13(12-20-4)18-11-14-8-6-10-21-14/h6,8,10,13,18H,5,7,9,11-12H2,1-4H3,(H,17,19)
InChIKeyGAPFTAQWAXNVLA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.69
Rot. Bonds9

About tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate (PubChem CID 103386932) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate
PubChem CID103386932
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCc1ccco1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(19)17-9-5-7-13(12-20-4)18-11-14-8-6-10-21-14/h6,8,10,13,18H,5,7,9,11-12H2,1-4H3,(H,17,19)
InChIKeyGAPFTAQWAXNVLA-UHFFFAOYSA-N
XLogP2.69
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-methoxy-4-(1,2-oxazol-5-ylmethylamino)pentyl]carbamate
CID 106415302
tert-butyl N-[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562
tert-butyl N-[5-methoxy-4-(pyridin-2-ylmethylamino)pentyl]carbamate
CID 103387291
tert-butyl N-[5-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentyl]carbamate
CID 103389660
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate
CID 103389416
tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate
CID 106380121
tert-butyl N-[5-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pentyl]carbamate
CID 103389364
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[2-(furan-2-ylmethylcarbamothioylamino)ethyl]carbamate
CID 84550174
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate (CID 103386932) is tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCc1ccco1.
What is the InChIKey of tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate?
The InChIKey is GAPFTAQWAXNVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(19)17-9-5-7-13(12-20-4)18-11-14-8-6-10-21-14/h6,8,10,13,18H,5,7,9,11-12H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103386932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).