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

C18H30N2O2 — CID 107246051

IUPACtert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-6-13-20(17(21)22-18(3,4)5)14-12-19-15(2)16-10-8-7-9-11-16/h7-11,15,19H,6,12-14H2,1-5H3
InChIKeyWAIBPBVPIYBBSZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.98
Rot. Bonds7

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

tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate (PubChem CID 107246051) 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-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
PubChem CID107246051
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-6-13-20(17(21)22-18(3,4)5)14-12-19-15(2)16-10-8-7-9-11-16/h7-11,15,19H,6,12-14H2,1-5H3
InChIKeyWAIBPBVPIYBBSZ-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-propylcarbamate 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-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-[2-[1-(3-chlorophenyl)ethylamino]ethyl]-N-propylcarbamate
CID 107246027
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]-N-propylcarbamate
CID 107246033
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
CID 103904692
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
tert-butyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-3-methoxypropyl]amino]ethyl]-N-propylcarbamate
CID 155472986
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
CID 54806910
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
CID 107245260
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate (CID 107246051) is tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate is CCCN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate?
The InChIKey is WAIBPBVPIYBBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-13-20(17(21)22-18(3,4)5)14-12-19-15(2)16-10-8-7-9-11-16/h7-11,15,19H,6,12-14H2,1-5H3.
What are the key properties of tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate?
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate has a molecular weight of 306.45 g/mol, XLogP of 3.98, 7 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-propylcarbamate is sourced from PubChem (CID 107246051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).