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

C18H30N2O3 — CID 107257059

IUPACtert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
SMILESCC(O)CN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-14(21)13-20(17(22)23-18(3,4)5)12-11-19-15(2)16-9-7-6-8-10-16/h6-10,14-15,19,21H,11-13H2,1-5H3
InChIKeyNKSWBKMWWDDPPA-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.96
Rot. Bonds7

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

tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate (PubChem CID 107257059) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
PubChem CID107257059
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
SMILESCC(O)CN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-14(21)13-20(17(22)23-18(3,4)5)12-11-19-15(2)16-9-7-6-8-10-16/h6-10,14-15,19,21H,11-13H2,1-5H3
InChIKeyNKSWBKMWWDDPPA-UHFFFAOYSA-N
XLogP2.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 107257062
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-[2-[1-(3-chlorophenyl)ethylamino]ethyl]-N-propylcarbamate
CID 107246027
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257164
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate (CID 107257059) is tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate is CC(O)CN(CCNC(C)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate?
The InChIKey is NKSWBKMWWDDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(21)13-20(17(22)23-18(3,4)5)12-11-19-15(2)16-9-7-6-8-10-16/h6-10,14-15,19,21H,11-13H2,1-5H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate?
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 107257059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).