tert-butyl N-(4-acetamido-3-methylphenyl)carbamate

C14H20N2O3 — CID 65142696

IUPACtert-butyl N-(4-acetamido-3-methylphenyl)carbamate
SMILESCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C14H20N2O3/c1-9-8-11(6-7-12(9)15-10(2)17)16-13(18)19-14(3,4)5/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKeyWQNLHDLDPQNLDR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl N-(4-acetamido-3-methylphenyl)carbamate

tert-butyl N-(4-acetamido-3-methylphenyl)carbamate (PubChem CID 65142696) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-(4-acetamido-3-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-acetamido-3-methylphenyl)carbamate
PubChem CID65142696
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-(4-acetamido-3-methylphenyl)carbamate
SMILESCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C14H20N2O3/c1-9-8-11(6-7-12(9)15-10(2)17)16-13(18)19-14(3,4)5/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKeyWQNLHDLDPQNLDR-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
CID 164562081
CID 164562081
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-(3-bromo-4-methylphenyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158687232
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
CID 18782933

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-acetamido-3-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-acetamido-3-methylphenyl)carbamate (CID 65142696) is tert-butyl N-(4-acetamido-3-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-acetamido-3-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-acetamido-3-methylphenyl)carbamate is CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-(4-acetamido-3-methylphenyl)carbamate?
The InChIKey is WQNLHDLDPQNLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-11(6-7-12(9)15-10(2)17)16-13(18)19-14(3,4)5/h6-8H,1-5H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-(4-acetamido-3-methylphenyl)carbamate?
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-acetamido-3-methylphenyl)carbamate is sourced from PubChem (CID 65142696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).