tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate

C16H28N2O4 — CID 103821653

IUPACtert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCCCOCc1ccco1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(19)18-10-5-8-17-9-6-11-20-13-14-7-4-12-21-14/h4,7,12,17H,5-6,8-11,13H2,1-3H3,(H,18,19)
InChIKeyXMPITGAXSNTKBC-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.69
Rot. Bonds10

About tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate

tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate (PubChem CID 103821653) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
PubChem CID103821653
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCCCOCc1ccco1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(19)18-10-5-8-17-9-6-11-20-13-14-7-4-12-21-14/h4,7,12,17H,5-6,8-11,13H2,1-3H3,(H,18,19)
InChIKeyXMPITGAXSNTKBC-UHFFFAOYSA-N
XLogP2.69
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
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

3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
tert-butyl 3-(furan-2-ylmethoxy)propanoate
CID 14833126
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
2-[[3-(furan-2-ylmethoxy)propylamino]methyl]-2-methylbutan-1-ol
CID 81411518
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate (CID 103821653) is tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNCCCOCc1ccco1.
What is the InChIKey of tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate?
The InChIKey is XMPITGAXSNTKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(19)18-10-5-8-17-9-6-11-20-13-14-7-4-12-21-14/h4,7,12,17H,5-6,8-11,13H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate?
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate is sourced from PubChem (CID 103821653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).