tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate

C19H24N2O2 — CID 170491208

IUPACtert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cccc2c(N)cccc12
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-5-4-8-14-9-6-11-16-15(14)10-7-12-17(16)20/h4,6-12H,5,13,20H2,1-3H3,(H,21,22)
InChIKeyNFWVPZFEYOJVPH-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate

tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate (PubChem CID 170491208) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
PubChem CID170491208
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cccc2c(N)cccc12
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-5-4-8-14-9-6-11-16-15(14)10-7-12-17(16)20/h4,6-12H,5,13,20H2,1-3H3,(H,21,22)
InChIKeyNFWVPZFEYOJVPH-UHFFFAOYSA-N
XLogP4.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
CID 170494790
tert-butyl N-[4-(2-amino-6-chlorophenyl)but-3-enyl]carbamate
CID 170490150
tert-butyl N-[4-[2-fluoro-3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490347
tert-butyl N-[4-(2,6-diformylphenyl)but-3-enyl]carbamate
CID 170490740
tert-butyl N-[4-(2-amino-5-bromophenyl)but-3-enyl]carbamate
CID 170491530
tert-butyl N-[4-(4,5-diamino-2-methylphenyl)but-3-enyl]carbamate
CID 170490406
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025
tert-butyl N-[4-(2-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490551
2-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170490709
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170491050
tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
CID 170489943
tert-butyl N-[4-(2-cyano-3-fluorophenyl)but-3-enyl]carbamate
CID 170490467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate (CID 170491208) is tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1cccc2c(N)cccc12.
What is the InChIKey of tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate?
The InChIKey is NFWVPZFEYOJVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-5-4-8-14-9-6-11-16-15(14)10-7-12-17(16)20/h4,6-12H,5,13,20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate?
tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate is sourced from PubChem (CID 170491208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).