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

C17H20ClNO4 — CID 11404979

IUPACtert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate
SMILESCOc1ccc([C@H](NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClNO4/c1-17(2,3)23-16(20)19-15(11-5-7-12(18)8-6-11)13-9-10-14(21-4)22-13/h5-10,15H,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyVQXORPYGNZIIGA-OAHLLOKOSA-N
MW337.80 g/mol
LogP4.56
Rot. Bonds4

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

tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate (PubChem CID 11404979) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate
PubChem CID11404979
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Nametert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate
SMILESCOc1ccc([C@H](NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClNO4/c1-17(2,3)23-16(20)19-15(11-5-7-12(18)8-6-11)13-9-10-14(21-4)22-13/h5-10,15H,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyVQXORPYGNZIIGA-OAHLLOKOSA-N
XLogP4.56
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
CID 101352736
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
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[(4-chlorophenyl)-cyanomethyl]carbamate
CID 11242589
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
tert-butyl N-[(1R,2S)-1,2-bis(4-chlorophenyl)-2-(methylamino)ethyl]carbamate
CID 139315043
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146
tert-butyl N-[(1R,2R)-1-(4-chlorophenyl)-2-methyl-3-oxopropyl]carbamate
CID 102169131
tert-butyl N-[(1S)-2-bromo-1-(4-chlorophenyl)-2-nitroethyl]carbamate
CID 146162209
tert-butyl N-[(1R)-2-bromo-1-(4-chlorophenyl)-2-nitroethyl]carbamate
CID 46848459
tert-butyl N-[(R)-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(4-methylphenyl)methyl]carbamate
CID 135017648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate (CID 11404979) is tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate is COc1ccc([C@H](NC(=O)OC(C)(C)C)c2ccc(Cl)cc2)o1.
What is the InChIKey of tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate?
The InChIKey is VQXORPYGNZIIGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20ClNO4/c1-17(2,3)23-16(20)19-15(11-5-7-12(18)8-6-11)13-9-10-14(21-4)22-13/h5-10,15H,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate?
tert-butyl N-[(R)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate has a molecular weight of 337.80 g/mol, XLogP of 4.56, 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)-(4-chlorophenyl)-(5-methoxyfuran-2-yl)methyl]carbamate is sourced from PubChem (CID 11404979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).