tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate

C15H22N2O3 — CID 63788679

IUPACtert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
SMILESCC(=O)Nc1cccc(C(C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(16-14(19)20-15(3,4)5)12-7-6-8-13(9-12)17-11(2)18/h6-10H,1-5H3,(H,16,19)(H,17,18)
InChIKeyQHALEXWWKLAZBM-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.23
Rot. Bonds3

About tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate

tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate (PubChem CID 63788679) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
PubChem CID63788679
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
SMILESCC(=O)Nc1cccc(C(C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-10(16-14(19)20-15(3,4)5)12-7-6-8-13(9-12)17-11(2)18/h6-10H,1-5H3,(H,16,19)(H,17,18)
InChIKeyQHALEXWWKLAZBM-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[1-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]carbamate
CID 169340820
tert-butyl N-[1-[[1-(3-acetamidophenyl)ethylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 47048330
methyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 154729915
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 155749556
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate (CID 63788679) is tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate is CC(=O)Nc1cccc(C(C)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate?
The InChIKey is QHALEXWWKLAZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(16-14(19)20-15(3,4)5)12-7-6-8-13(9-12)17-11(2)18/h6-10H,1-5H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate?
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate is sourced from PubChem (CID 63788679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).