tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate

C19H32N2O2 — CID 107245260

IUPACtert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
SMILESCCC(Cc1ccccc1)NCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-6-17(15-16-11-9-8-10-12-16)20-13-14-21(7-2)18(22)23-19(3,4)5/h8-12,17,20H,6-7,13-15H2,1-5H3
InChIKeyZFAWHKMMRARVIJ-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.85
Rot. Bonds8

About tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate (PubChem CID 107245260) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
PubChem CID107245260
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
SMILESCCC(Cc1ccccc1)NCCN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-6-17(15-16-11-9-8-10-12-16)20-13-14-21(7-2)18(22)23-19(3,4)5/h8-12,17,20H,6-7,13-15H2,1-5H3
InChIKeyZFAWHKMMRARVIJ-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]carbamate
CID 107245256
2,2-dimethyl-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 122127230
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]acetic acid
CID 124523787
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate (CID 107245260) is tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate is CCC(Cc1ccccc1)NCCN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate?
The InChIKey is ZFAWHKMMRARVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-17(15-16-11-9-8-10-12-16)20-13-14-21(7-2)18(22)23-19(3,4)5/h8-12,17,20H,6-7,13-15H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107245260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).