tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate

C20H25NO4 — CID 11024352

IUPACtert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCc1ccccc1)CC(=O)c1ccco1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(23)21-16(12-11-15-8-5-4-6-9-15)14-17(22)18-10-7-13-24-18/h4-10,13,16H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyBYCCUPJQWAUAEA-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.38
Rot. Bonds7

About tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate

tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate (PubChem CID 11024352) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
PubChem CID11024352
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCc1ccccc1)CC(=O)c1ccco1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(23)21-16(12-11-15-8-5-4-6-9-15)14-17(22)18-10-7-13-24-18/h4-10,13,16H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyBYCCUPJQWAUAEA-UHFFFAOYSA-N
XLogP4.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[(3S)-1-(1,5-diphenylpentan-3-ylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-3-yl]carbamate
CID 130376694
tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
tert-butyl N-[(2S)-1-(1,5-diphenylpentan-3-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 130376708
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxo-5-phenylpentan-3-yl]carbamate
CID 54324420
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
CID 122389860
tert-butyl N-[1-(hydroxyamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 74947129
tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
CID 130376749
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
CID 132916154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate (CID 11024352) is tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate is CC(C)(C)OC(=O)NC(CCc1ccccc1)CC(=O)c1ccco1.
What is the InChIKey of tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate?
The InChIKey is BYCCUPJQWAUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)25-19(23)21-16(12-11-15-8-5-4-6-9-15)14-17(22)18-10-7-13-24-18/h4-10,13,16H,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate?
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate is sourced from PubChem (CID 11024352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).