tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate

C16H24N2O4 — CID 90291485

IUPACtert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
SMILESCOCCNC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-11-6-7-13(18-15(20)22-16(2,3)4)12(10-11)14(19)17-8-9-21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyUZLODCJAWUIXJH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate

tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate (PubChem CID 90291485) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
PubChem CID90291485
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
SMILESCOCCNC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-11-6-7-13(18-15(20)22-16(2,3)4)12(10-11)14(19)17-8-9-21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyUZLODCJAWUIXJH-UHFFFAOYSA-N
XLogP2.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
CID 83215678
2-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 62848709
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate (CID 90291485) is tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate is COCCNC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate?
The InChIKey is UZLODCJAWUIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11-6-7-13(18-15(20)22-16(2,3)4)12(10-11)14(19)17-8-9-21-5/h6-7,10H,8-9H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate?
tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate is sourced from PubChem (CID 90291485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).