2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate

C15H23NO3 — CID 59019482

IUPAC2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC(C)(C)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)15(3,4)10-19-14(17)16-12-6-8-13(18-5)9-7-12/h6-9,11H,10H2,1-5H3,(H,16,17)
InChIKeyWVMJUVIAITUHFN-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.93
Rot. Bonds5

About 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate

2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate (PubChem CID 59019482) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
PubChem CID59019482
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC(C)(C)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)15(3,4)10-19-14(17)16-12-6-8-13(18-5)9-7-12/h6-9,11H,10H2,1-5H3,(H,16,17)
InChIKeyWVMJUVIAITUHFN-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
CID 4268048
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-(2-amino-2-methylpropoxy)-N-(4-methoxyphenyl)acetamide
CID 64537579
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate (CID 59019482) is 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC(C)(C)C(C)C)cc1.
What is the InChIKey of 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate?
The InChIKey is WVMJUVIAITUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)15(3,4)10-19-14(17)16-12-6-8-13(18-5)9-7-12/h6-9,11H,10H2,1-5H3,(H,16,17).
What are the key properties of 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate?
2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylbutyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 59019482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).