tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate

C18H30N2O2 — CID 107245596

IUPACtert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O2/c1-14(2)20(17(21)22-18(4,5)6)13-12-19-15(3)16-10-8-7-9-11-16/h7-11,14-15,19H,12-13H2,1-6H3
InChIKeyJBSIKDPZHJENDL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.98
Rot. Bonds6

About tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245596) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
PubChem CID107245596
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O2/c1-14(2)20(17(21)22-18(4,5)6)13-12-19-15(3)16-10-8-7-9-11-16/h7-11,14-15,19H,12-13H2,1-6H3
InChIKeyJBSIKDPZHJENDL-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate 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-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245927
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate
CID 162020416
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate (CID 107245596) is tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate is CC(NCCN(C(=O)OC(C)(C)C)C(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate?
The InChIKey is JBSIKDPZHJENDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)20(17(21)22-18(4,5)6)13-12-19-15(3)16-10-8-7-9-11-16/h7-11,14-15,19H,12-13H2,1-6H3.
What are the key properties of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate has a molecular weight of 306.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).