tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate

C18H28N2O5 — CID 71912014

IUPACtert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate
SMILESCCC(C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C18H28N2O5/c1-7-18(5,11-19-16(23)25-17(2,3)4)15(22)20-13-10-12(24-6)8-9-14(13)21/h8-10,21H,7,11H2,1-6H3,(H,19,23)(H,20,22)
InChIKeyJCNNMLFSPRXIGV-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.28
Rot. Bonds6

About tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate

tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate (PubChem CID 71912014) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate
PubChem CID71912014
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Nametert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate
SMILESCCC(C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C18H28N2O5/c1-7-18(5,11-19-16(23)25-17(2,3)4)15(22)20-13-10-12(24-6)8-9-14(13)21/h8-10,21H,7,11H2,1-6H3,(H,19,23)(H,20,22)
InChIKeyJCNNMLFSPRXIGV-UHFFFAOYSA-N
XLogP3.28
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113270112
tert-butyl N-[2-(2-bromo-5-methoxyanilino)ethyl]carbamate
CID 115877169
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
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2-(butylamino)-4-methoxyphenol
CID 57058313
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[(E)-4-[(2-hydroxy-5-methoxyphenyl)methylamino]but-2-enyl]carbamate
CID 107253246
tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
CID 69097038
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
CID 102695614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate (CID 71912014) is tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate is CCC(C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc(OC)ccc1O.
What is the InChIKey of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate?
The InChIKey is JCNNMLFSPRXIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-7-18(5,11-19-16(23)25-17(2,3)4)15(22)20-13-10-12(24-6)8-9-14(13)21/h8-10,21H,7,11H2,1-6H3,(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate?
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)carbamoyl]-2-methylbutyl]carbamate is sourced from PubChem (CID 71912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).