tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate

C14H21NO3 — CID 65142813

IUPACtert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
SMILESCCOc1cc(C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-6-17-12-9-10(2)7-8-11(12)15-13(16)18-14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyVRHGFDITBNBCJI-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate

tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate (PubChem CID 65142813) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
PubChem CID65142813
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
SMILESCCOc1cc(C)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-6-17-12-9-10(2)7-8-11(12)15-13(16)18-14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyVRHGFDITBNBCJI-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate (CID 65142813) is tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate is CCOc1cc(C)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate?
The InChIKey is VRHGFDITBNBCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-17-12-9-10(2)7-8-11(12)15-13(16)18-14(3,4)5/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate?
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate is sourced from PubChem (CID 65142813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).