tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate

C19H23NO3 — CID 86775757

IUPACtert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23NO3/c1-19(2,3)23-18(22)20-12-14(13-21)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,22)
InChIKeyGLFLGRYFHIZXEX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.72
Rot. Bonds5

About tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate

tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate (PubChem CID 86775757) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
PubChem CID86775757
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nametert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23NO3/c1-19(2,3)23-18(22)20-12-14(13-21)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,22)
InChIKeyGLFLGRYFHIZXEX-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
CID 84730927
tert-butyl N-(2-naphthalen-2-yl-3-oxopropyl)carbamate
CID 87951534
tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
CID 70370260
tert-butyl N-(2-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl)carbamate
CID 174358419
2-[[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]acetic acid
CID 67617115
tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
CID 84729781
tert-butyl N-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]carbamate
CID 84551382
tert-butyl N-[3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate
CID 123454328
tert-butyl N-[[4-(formamidomethyl)naphthalen-1-yl]methyl]carbamate
CID 140632383
(2S)-2-(ethylcarbamoyloxy)-3-naphthalen-1-ylpropanoic acid
CID 70357471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate (CID 86775757) is tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(C=O)Cc1cccc2ccccc12.
What is the InChIKey of tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate?
The InChIKey is GLFLGRYFHIZXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,3)23-18(22)20-12-14(13-21)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13-14H,11-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate?
tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate has a molecular weight of 313.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate is sourced from PubChem (CID 86775757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).