tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate

C15H22N2O3 — CID 576438

IUPACtert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
SMILESCC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-11(18)16-9-12-7-5-6-8-13(12)10-17-14(19)20-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyOMRVNZYNYAUVAZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.35
Rot. Bonds4

About tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate

tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate (PubChem CID 576438) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
PubChem CID576438
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
SMILESCC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-11(18)16-9-12-7-5-6-8-13(12)10-17-14(19)20-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyOMRVNZYNYAUVAZ-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate (CID 576438) is tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate is CC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate?
The InChIKey is OMRVNZYNYAUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)16-9-12-7-5-6-8-13(12)10-17-14(19)20-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate?
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 576438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).