tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate

C14H17Br2NO3 — CID 164687395

IUPACtert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(N(C=C(Br)Br)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H17Br2NO3/c1-14(2,3)20-13(18)17(9-12(15)16)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3
InChIKeyWNZLUJLUHOXKSK-UHFFFAOYSA-N
MW407.10 g/mol
LogP5.03
Rot. Bonds3

About tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate

tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate (PubChem CID 164687395) has the molecular formula C14H17Br2NO3 and a molecular weight of 407.10 g/mol. Its IUPAC name is tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
PubChem CID164687395
Molecular FormulaC14H17Br2NO3
Molecular Weight407.10 g/mol
Exact Mass404.96
IUPAC Nametert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(N(C=C(Br)Br)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H17Br2NO3/c1-14(2,3)20-13(18)17(9-12(15)16)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3
InChIKeyWNZLUJLUHOXKSK-UHFFFAOYSA-N
XLogP5.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.10
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate
CID 11111359
tert-butyl N-(4-methoxyphenyl)-N-[(1Z,3R)-3-[(E)-2-phenylethenyl]hexa-1,5-dienyl]carbamate
CID 11429643
ethyl (Z,3R,4S)-3-(4-bromophenyl)-6-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5-methyl-4-phenylhex-5-enoate
CID 101396330
tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
CID 102422210
tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate
CID 11783979
tert-butyl N-[(E,3S,4S)-5,5-dicyano-4-methyl-3,4-diphenylpent-1-enyl]-N-(4-methoxyphenyl)carbamate
CID 101268594
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
tert-butyl N-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)carbamate
CID 16686776
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
tert-butyl N-(4-methoxyphenyl)-N-[(Z,3S)-3-[(2R,3R)-2-methyl-5-oxooxolan-3-yl]-3-phenylprop-1-enyl]carbamate
CID 134917783
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate (CID 164687395) is tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate is COc1ccc(N(C=C(Br)Br)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate?
The InChIKey is WNZLUJLUHOXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO3/c1-14(2,3)20-13(18)17(9-12(15)16)10-5-7-11(19-4)8-6-10/h5-9H,1-4H3.
What are the key properties of tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate?
tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate has a molecular weight of 407.10 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 164687395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).