tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate

C18H23NO4 — CID 101352737

IUPACtert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate
SMILESCOc1ccc([C@H](NC(=O)OC(C)(C)C)c2ccccc2C)o1
InChIInChI=1S/C18H23NO4/c1-12-8-6-7-9-13(12)16(14-10-11-15(21-5)22-14)19-17(20)23-18(2,3)4/h6-11,16H,1-5H3,(H,19,20)/t16-/m1/s1
InChIKeyDZLBXWXPFGALGN-MRXNPFEDSA-N
MW317.39 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate

tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate (PubChem CID 101352737) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate
PubChem CID101352737
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Nametert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate
SMILESCOc1ccc([C@H](NC(=O)OC(C)(C)C)c2ccccc2C)o1
InChIInChI=1S/C18H23NO4/c1-12-8-6-7-9-13(12)16(14-10-11-15(21-5)22-14)19-17(20)23-18(2,3)4/h6-11,16H,1-5H3,(H,19,20)/t16-/m1/s1
InChIKeyDZLBXWXPFGALGN-MRXNPFEDSA-N
XLogP4.21
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
CID 101352736
tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate
CID 11404979
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
CID 134857276
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
(2R,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7176473
(2S,3S)-2-hydroxy-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762358
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
ethyl (2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102261237
(2S)-4-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoic acid
CID 154034502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate (CID 101352737) is tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate is COc1ccc([C@H](NC(=O)OC(C)(C)C)c2ccccc2C)o1.
What is the InChIKey of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate?
The InChIKey is DZLBXWXPFGALGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-8-6-7-9-13(12)16(14-10-11-15(21-5)22-14)19-17(20)23-18(2,3)4/h6-11,16H,1-5H3,(H,19,20)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate?
tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 101352737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).