tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate

C18H23NO5 — CID 101352736

IUPACtert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc([C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)o2)cc1
InChIInChI=1S/C18H23NO5/c1-18(2,3)24-17(20)19-16(14-10-11-15(22-5)23-14)12-6-8-13(21-4)9-7-12/h6-11,16H,1-5H3,(H,19,20)/t16-/m1/s1
InChIKeyWTTHQPYVDCPKFM-MRXNPFEDSA-N
MW333.38 g/mol
LogP3.91
Rot. Bonds5

About tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate

tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate (PubChem CID 101352736) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
PubChem CID101352736
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nametert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc([C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)o2)cc1
InChIInChI=1S/C18H23NO5/c1-18(2,3)24-17(20)19-16(14-10-11-15(22-5)23-14)12-6-8-13(21-4)9-7-12/h6-11,16H,1-5H3,(H,19,20)/t16-/m1/s1
InChIKeyWTTHQPYVDCPKFM-MRXNPFEDSA-N
XLogP3.91
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate
CID 11404979
tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(2-methylphenyl)methyl]carbamate
CID 101352737
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
CID 134857276
(2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 14110515
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
tert-butyl N-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)-2-nitropropyl]carbamate
CID 102203556
tert-butyl N-[(R)-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-methylphenyl)methyl]carbamate
CID 135017648
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate
CID 67067315
chloromethyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 165440520
tert-butyl N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10287389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate (CID 101352736) is tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate is COc1ccc([C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)o2)cc1.
What is the InChIKey of tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate?
The InChIKey is WTTHQPYVDCPKFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(2,3)24-17(20)19-16(14-10-11-15(22-5)23-14)12-6-8-13(21-4)9-7-12/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)-(4-methoxyphenyl)methyl]carbamate?
tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate has a molecular weight of 333.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 101352736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).