tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate

C16H25NO4 — CID 106707217

IUPACtert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
SMILESCC(CCc1ccco1)NC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO4/c1-12(7-8-13-6-5-11-20-13)17-14(18)9-10-15(19)21-16(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,17,18)
InChIKeyCITDPJBAMNONFY-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate

tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate (PubChem CID 106707217) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
PubChem CID106707217
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
SMILESCC(CCc1ccco1)NC(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO4/c1-12(7-8-13-6-5-11-20-13)17-14(18)9-10-15(19)21-16(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,17,18)
InChIKeyCITDPJBAMNONFY-UHFFFAOYSA-N
XLogP2.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 3-(furan-2-yl)propanoate
CID 63897010
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate
CID 107254289
tert-butyl 4-oxo-4-(1-phenylpropan-2-ylamino)butanoate
CID 106707409
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
CID 43726163
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate (CID 106707217) is tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate is CC(CCc1ccco1)NC(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate?
The InChIKey is CITDPJBAMNONFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(7-8-13-6-5-11-20-13)17-14(18)9-10-15(19)21-16(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate?
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate has a molecular weight of 295.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate is sourced from PubChem (CID 106707217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).