tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate

C18H32N2O3 — CID 107254289

IUPACtert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate
SMILESCC(CCc1ccco1)NC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H32N2O3/c1-13(2)16(12-19-17(21)23-18(4,5)6)20-14(3)9-10-15-8-7-11-22-15/h7-8,11,13-14,16,20H,9-10,12H2,1-6H3,(H,19,21)
InChIKeyUKXGRYZYMUREHG-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.74
Rot. Bonds8

About tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate

tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate (PubChem CID 107254289) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate
PubChem CID107254289
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate
SMILESCC(CCc1ccco1)NC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H32N2O3/c1-13(2)16(12-19-17(21)23-18(4,5)6)20-14(3)9-10-15-8-7-11-22-15/h7-8,11,13-14,16,20H,9-10,12H2,1-6H3,(H,19,21)
InChIKeyUKXGRYZYMUREHG-UHFFFAOYSA-N
XLogP3.74
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(furan-2-yl)butan-2-ylamino]carbamate
CID 107237322
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953465
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
CID 43726163
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate (CID 107254289) is tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate is CC(CCc1ccco1)NC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate?
The InChIKey is UKXGRYZYMUREHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(2)16(12-19-17(21)23-18(4,5)6)20-14(3)9-10-15-8-7-11-22-15/h7-8,11,13-14,16,20H,9-10,12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate?
tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate has a molecular weight of 324.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate is sourced from PubChem (CID 107254289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).