tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate

C18H30N2O2 — CID 107444459

IUPACtert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-17(2,3)20(16(21)22-18(4,5)6)13-12-19-14-15-10-8-7-9-11-15/h7-11,19H,12-14H2,1-6H3
InChIKeyULTLQVFBSMUAMO-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.81
Rot. Bonds5

About tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate

tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate (PubChem CID 107444459) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
PubChem CID107444459
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-17(2,3)20(16(21)22-18(4,5)6)13-12-19-14-15-10-8-7-9-11-15/h7-11,19H,12-14H2,1-6H3
InChIKeyULTLQVFBSMUAMO-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
CID 107444427
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
CID 107444769
tert-butyl 3-(benzylamino)propanoate
CID 10776134
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
CID 106369545
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate?
The IUPAC name of tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate (CID 107444459) is tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate?
The canonical SMILES for tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate is CC(C)(C)OC(=O)N(CCNCc1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate?
The InChIKey is ULTLQVFBSMUAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-17(2,3)20(16(21)22-18(4,5)6)13-12-19-14-15-10-8-7-9-11-15/h7-11,19H,12-14H2,1-6H3.
What are the key properties of tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate?
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate has a molecular weight of 306.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate is sourced from PubChem (CID 107444459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).