tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate

C15H23N3O3 — CID 108871353

IUPACtert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18(10-9-16)13(19)17-11-12-7-5-4-6-8-12/h4-8H,9-11,16H2,1-3H3,(H,17,19)
InChIKeyPKXZIQCEWVCLSQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate

tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate (PubChem CID 108871353) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
PubChem CID108871353
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18(10-9-16)13(19)17-11-12-7-5-4-6-8-12/h4-8H,9-11,16H2,1-3H3,(H,17,19)
InChIKeyPKXZIQCEWVCLSQ-UHFFFAOYSA-N
XLogP2.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
CID 108894237
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]carbamate
CID 108864621
tert-butyl N-(2-aminoethyl)-N-[(4-chlorophenoxy)methylcarbamoyl]carbamate
CID 108885424
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
CID 108889283
tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023
tert-butyl N-(2-aminoethyl)-N-[(3,4-dimethylphenoxy)methylcarbamoyl]carbamate
CID 108879327
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
CID 67919243
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]carbamate
CID 108872024
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate (CID 108871353) is tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate is CC(C)(C)OC(=O)N(CCN)C(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate?
The InChIKey is PKXZIQCEWVCLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(20)18(10-9-16)13(19)17-11-12-7-5-4-6-8-12/h4-8H,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate?
tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate is sourced from PubChem (CID 108871353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).