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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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).