tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate

C20H24BrNO2 — CID 171127333

IUPACtert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(Br)c2ccccc12)CC1CC1
InChIInChI=1S/C20H24BrNO2/c1-20(2,3)24-19(23)22(12-14-8-9-14)13-15-10-11-18(21)17-7-5-4-6-16(15)17/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyJUTXOIBBMLDVPI-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.75
Rot. Bonds4

About tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate

tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate (PubChem CID 171127333) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate
PubChem CID171127333
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Nametert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(Br)c2ccccc12)CC1CC1
InChIInChI=1S/C20H24BrNO2/c1-20(2,3)24-19(23)22(12-14-8-9-14)13-15-10-11-18(21)17-7-5-4-6-16(15)17/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyJUTXOIBBMLDVPI-UHFFFAOYSA-N
XLogP5.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(6-bromopyridazin-3-yl)methyl]-N-(cyclopropylmethyl)carbamate
CID 163382772
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(cyclopropylmethyl)carbamate
CID 146676934
tert-butyl N-(cyclopropylmethyl)-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenyl]methyl]carbamate
CID 162623449
6-bromo-2-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]indole-1-carboxylic acid
CID 175331725
tert-butyl N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-N-cyclopentylcarbamate
CID 167530141
tert-butyl N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-N-(2-methylprop-2-enyl)carbamate
CID 102404976
tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 131735467
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
(E)-5-[(2-bromophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoic acid
CID 18671422
tert-butyl N-(cyclopropylmethyl)-N-[[3-iodo-4-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 169493320
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 162340809

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate?
The IUPAC name of tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate (CID 171127333) is tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate?
The canonical SMILES for tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccc(Br)c2ccccc12)CC1CC1.
What is the InChIKey of tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate?
The InChIKey is JUTXOIBBMLDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-20(2,3)24-19(23)22(12-14-8-9-14)13-15-10-11-18(21)17-7-5-4-6-16(15)17/h4-7,10-11,14H,8-9,12-13H2,1-3H3.
What are the key properties of tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate?
tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate has a molecular weight of 390.32 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-bromonaphthalen-1-yl)methyl]-N-(cyclopropylmethyl)carbamate is sourced from PubChem (CID 171127333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).