tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate

C19H31NO4 — CID 19933959

IUPACtert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)C(=O)CCCCc1ccco1
InChIInChI=1S/C19H31NO4/c1-5-6-12-16(20-18(22)24-19(2,3)4)17(21)13-8-7-10-15-11-9-14-23-15/h9,11,14,16H,5-8,10,12-13H2,1-4H3,(H,20,22)
InChIKeyXHUGMRDMYFAVAL-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.64
Rot. Bonds10

About tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate

tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate (PubChem CID 19933959) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate
PubChem CID19933959
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Nametert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)C(=O)CCCCc1ccco1
InChIInChI=1S/C19H31NO4/c1-5-6-12-16(20-18(22)24-19(2,3)4)17(21)13-8-7-10-15-11-9-14-23-15/h9,11,14,16H,5-8,10,12-13H2,1-4H3,(H,20,22)
InChIKeyXHUGMRDMYFAVAL-UHFFFAOYSA-N
XLogP4.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.64
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

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CID 19933146
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxohexan-3-yl]carbamate
CID 15287861
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631
tert-butyl N-[(2S)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 15858562
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxo-5-phenylpentan-3-yl]carbamate
CID 54324420
benzyl N-[(2R)-1-[[(5S)-1-(furan-2-yl)-4-oxononan-5-yl]amino]-4-methylpentan-2-yl]carbamate
CID 70047343
tert-butyl N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]carbamate
CID 11338535
tert-butyl N-[4-(furan-2-yl)butan-2-ylamino]carbamate
CID 107237322
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxononan-2-yl]carbamate
CID 11523916
tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
CID 11523892
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoheptyl] 2,6-dimethylbenzoate
CID 154941116
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 14420168

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate (CID 19933959) is tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate is CCCCC(NC(=O)OC(C)(C)C)C(=O)CCCCc1ccco1.
What is the InChIKey of tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate?
The InChIKey is XHUGMRDMYFAVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-5-6-12-16(20-18(22)24-19(2,3)4)17(21)13-8-7-10-15-11-9-14-23-15/h9,11,14,16H,5-8,10,12-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate?
tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[10-(furan-2-yl)-6-oxodecan-5-yl]carbamate is sourced from PubChem (CID 19933959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).