tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate

C17H21NO4 — CID 101207384

IUPACtert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(N(Cc2ccco2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H21NO4/c1-17(2,3)22-16(19)18(12-15-6-5-11-21-15)13-7-9-14(20-4)10-8-13/h5-11H,12H2,1-4H3
InChIKeyHYDIJHHFYSSYNZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.23
Rot. Bonds4

About tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate

tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate (PubChem CID 101207384) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
PubChem CID101207384
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nametert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(N(Cc2ccco2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H21NO4/c1-17(2,3)22-16(19)18(12-15-6-5-11-21-15)13-7-9-14(20-4)10-8-13/h5-11H,12H2,1-4H3
InChIKeyHYDIJHHFYSSYNZ-UHFFFAOYSA-N
XLogP4.23
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)carbamate
CID 16686776
(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide
CID 51930010
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854946
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474
N-(furan-2-ylmethyl)-3,5-dimethoxy-N-phenylbenzamide
CID 18100555
4-[acetyl(furan-2-ylmethyl)amino]benzoic acid
CID 39359965
tert-butyl N-(furan-2-ylmethyl)-N-(7-methylthieno[3,2-d]triazin-4-yl)carbamate
CID 177117883
N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
CID 54080971
3-chloro-N-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3189715
tert-butyl N-(5-chloro-2-iodo-3-methylthieno[3,2-b]pyridin-7-yl)-N-(furan-2-ylmethyl)carbamate
CID 154681235

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate (CID 101207384) is tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate is COc1ccc(N(Cc2ccco2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate?
The InChIKey is HYDIJHHFYSSYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-17(2,3)22-16(19)18(12-15-6-5-11-21-15)13-7-9-14(20-4)10-8-13/h5-11H,12H2,1-4H3.
What are the key properties of tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate?
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate has a molecular weight of 303.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 101207384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).