tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate

C25H35NO4 — CID 10309904

IUPACtert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate
SMILESCC(C(=O)CCc1ccc(C(C)(C)C)cc1)C(NC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C25H35NO4/c1-17(20(27)15-12-18-10-13-19(14-11-18)24(2,3)4)22(21-9-8-16-29-21)26-23(28)30-25(5,6)7/h8-11,13-14,16-17,22H,12,15H2,1-7H3,(H,26,28)
InChIKeyHHIMUUOOKVDIFT-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.98
Rot. Bonds7

About tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate

tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate (PubChem CID 10309904) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate
PubChem CID10309904
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Nametert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate
SMILESCC(C(=O)CCc1ccc(C(C)(C)C)cc1)C(NC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C25H35NO4/c1-17(20(27)15-12-18-10-13-19(14-11-18)24(2,3)4)22(21-9-8-16-29-21)26-23(28)30-25(5,6)7/h8-11,13-14,16-17,22H,12,15H2,1-7H3,(H,26,28)
InChIKeyHHIMUUOOKVDIFT-UHFFFAOYSA-N
XLogP5.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(4-bromophenyl)-2-methyl-3-oxo-1-phenylpentyl]carbamate
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tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
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benzyl N-[7-(4-tert-butylphenyl)-2,4-dimethyl-5-oxoheptan-3-yl]carbamate
CID 10216543
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
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tert-butyl N-[(1R,2R)-1-(furan-2-yl)-2-(methoxymethoxy)but-3-enyl]carbamate
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tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
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tert-butyl N-[(1R,2S)-1-[benzyl(hydroxy)amino]-1-(furan-2-yl)propan-2-yl]carbamate
CID 102069202
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl (2S,3S)-2-(fluoren-9-ylideneamino)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate (CID 10309904) is tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate is CC(C(=O)CCc1ccc(C(C)(C)C)cc1)C(NC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate?
The InChIKey is HHIMUUOOKVDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c1-17(20(27)15-12-18-10-13-19(14-11-18)24(2,3)4)22(21-9-8-16-29-21)26-23(28)30-25(5,6)7/h8-11,13-14,16-17,22H,12,15H2,1-7H3,(H,26,28).
What are the key properties of tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate?
tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate has a molecular weight of 413.56 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-tert-butylphenyl)-1-(furan-2-yl)-2-methyl-3-oxopentyl]carbamate is sourced from PubChem (CID 10309904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).