tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate

C28H29N3O3 — CID 140750480

IUPACtert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
SMILESCc1cc(C)cc(Nc2cc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccn2)c1
InChIInChI=1S/C28H29N3O3/c1-18-14-19(2)16-20(15-18)30-26-17-21(12-13-29-26)33-25-11-10-24(22-8-6-7-9-23(22)25)31-27(32)34-28(3,4)5/h6-17H,1-5H3,(H,29,30)(H,31,32)
InChIKeyBYEQSHSDEUGSMF-UHFFFAOYSA-N
MW455.56 g/mol
LogP7.73
Rot. Bonds5

About tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate

tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate (PubChem CID 140750480) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
PubChem CID140750480
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Nametert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
SMILESCc1cc(C)cc(Nc2cc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccn2)c1
InChIInChI=1S/C28H29N3O3/c1-18-14-19(2)16-20(15-18)30-26-17-21(12-13-29-26)33-25-11-10-24(22-8-6-7-9-23(22)25)31-27(32)34-28(3,4)5/h6-17H,1-5H3,(H,29,30)(H,31,32)
InChIKeyBYEQSHSDEUGSMF-UHFFFAOYSA-N
XLogP7.73
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[2-(3-carbamoyl-5-methoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 140750477
tert-butyl N-[4-[[2-[4-[ethoxy(methyl)phosphoryl]-3-methylanilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamate
CID 131747288
[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 122653084
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(3-methoxy-5-methylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 145380097
[4-[[2-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90159624
tert-butyl N-[4-(6-methylpyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 144573046
tert-butyl N-[4-(6-chloropyrimidin-4-yl)oxynaphthalen-1-yl]carbamate
CID 86711521
[4-[[2-[3-ethynyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoyl]anilino]-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 90422157
tert-butyl N-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]carbamate
CID 46900747
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[4-[2-(aminomethyl)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]carbamate
CID 20768855
tert-butyl N-[4-(cyanomethoxy)naphthalen-1-yl]carbamate
CID 59553417

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate (CID 140750480) is tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate is Cc1cc(C)cc(Nc2cc(Oc3ccc(NC(=O)OC(C)(C)C)c4ccccc34)ccn2)c1.
What is the InChIKey of tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
The InChIKey is BYEQSHSDEUGSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18-14-19(2)16-20(15-18)30-26-17-21(12-13-29-26)33-25-11-10-24(22-8-6-7-9-23(22)25)31-27(32)34-28(3,4)5/h6-17H,1-5H3,(H,29,30)(H,31,32).
What are the key properties of tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate?
tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate has a molecular weight of 455.56 g/mol, XLogP of 7.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(3,5-dimethylanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamate is sourced from PubChem (CID 140750480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).