tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate

C15H22N2O4 — CID 67919243

IUPACtert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17(9-8-16)13(19)12-6-4-11(10-18)5-7-12/h4-7,18H,8-10,16H2,1-3H3
InChIKeyZBVXGXTYBZTQSV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.51
Rot. Bonds4

About tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate (PubChem CID 67919243) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
PubChem CID67919243
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17(9-8-16)13(19)12-6-4-11(10-18)5-7-12/h4-7,18H,8-10,16H2,1-3H3
InChIKeyZBVXGXTYBZTQSV-UHFFFAOYSA-N
XLogP1.51
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
CID 108871353
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
CID 91938097
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
CID 87418131
tert-butyl N-(2-aminoethyl)-N-[(4-chlorophenoxy)methylcarbamoyl]carbamate
CID 108885424
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]carbamate
CID 108864621
methyl 4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58338883
[[4-(hydroxymethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl methanesulfonate
CID 90876890
tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
CID 108894237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate (CID 67919243) is tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate is CC(C)(C)OC(=O)N(CCN)C(=O)c1ccc(CO)cc1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate?
The InChIKey is ZBVXGXTYBZTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17(9-8-16)13(19)12-6-4-11(10-18)5-7-12/h4-7,18H,8-10,16H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate is sourced from PubChem (CID 67919243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).