tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate

C18H22N2O4 — CID 141432303

IUPACtert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
SMILESCON(C)C(=O)c1ccc2c(NC(=O)OC(C)(C)C)cccc2c1
InChIInChI=1S/C18H22N2O4/c1-18(2,3)24-17(22)19-15-8-6-7-12-11-13(9-10-14(12)15)16(21)20(4)23-5/h6-11H,1-5H3,(H,19,22)
InChIKeyHPBBIPZJAIKTHA-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.82
Rot. Bonds3

About tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate

tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate (PubChem CID 141432303) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
PubChem CID141432303
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nametert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate
SMILESCON(C)C(=O)c1ccc2c(NC(=O)OC(C)(C)C)cccc2c1
InChIInChI=1S/C18H22N2O4/c1-18(2,3)24-17(22)19-15-8-6-7-12-11-13(9-10-14(12)15)16(21)20(4)23-5/h6-11H,1-5H3,(H,19,22)
InChIKeyHPBBIPZJAIKTHA-UHFFFAOYSA-N
XLogP3.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[3-[methoxy(methyl)carbamoyl]phenyl]carbamate;3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid;oxolane
CID 157123919
tert-butyl N-[7-(propan-2-ylcarbamoyl)naphthalen-1-yl]carbamate
CID 150294769
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134
tert-butyl N-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]carbamate
CID 84551382
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
tert-butyl N-(2-oxo-1H-quinolin-5-yl)carbamate
CID 69185299
methyl 3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]prop-2-enoate
CID 141241672
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate (CID 141432303) is tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate is CON(C)C(=O)c1ccc2c(NC(=O)OC(C)(C)C)cccc2c1.
What is the InChIKey of tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate?
The InChIKey is HPBBIPZJAIKTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(2,3)24-17(22)19-15-8-6-7-12-11-13(9-10-14(12)15)16(21)20(4)23-5/h6-11H,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate?
tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate has a molecular weight of 330.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[methoxy(methyl)carbamoyl]naphthalen-1-yl]carbamate is sourced from PubChem (CID 141432303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).