tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate

C18H22N2O3 — CID 140632383

IUPACtert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CNC=O)c2ccccc12
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20-11-14-9-8-13(10-19-12-21)15-6-4-5-7-16(14)15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOPBSZHQPHHNDJV-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.11
Rot. Bonds5

About tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate

tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate (PubChem CID 140632383) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate
PubChem CID140632383
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CNC=O)c2ccccc12
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20-11-14-9-8-13(10-19-12-21)15-6-4-5-7-16(14)15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyOPBSZHQPHHNDJV-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate (CID 140632383) is tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CNC=O)c2ccccc12.
What is the InChIKey of tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate?
The InChIKey is OPBSZHQPHHNDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20-11-14-9-8-13(10-19-12-21)15-6-4-5-7-16(14)15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate?
tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate is sourced from PubChem (CID 140632383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).