tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate

C17H26N2O3 — CID 110406811

IUPACtert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
SMILESCC(C)CNC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(2)11-18-15(20)14(13-9-7-6-8-10-13)19-16(21)22-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyKFHGJQIRNWBNCP-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.02
Rot. Bonds5

About tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate

tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate (PubChem CID 110406811) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
PubChem CID110406811
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
SMILESCC(C)CNC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(2)11-18-15(20)14(13-9-7-6-8-10-13)19-16(21)22-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyKFHGJQIRNWBNCP-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
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CID 90120378
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 143420982
tert-butyl N-[(1S)-2-[[(11S)-11-[(2-methylpropan-2-yl)oxycarbonylamino]-10-oxo-11-phenylundecyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 147422632
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
CID 69267743
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[(1S)-2-[2-[[10-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]ethylamino]-10-oxodeca-4,6-diynoyl]amino]ethylamino]-2-oxo-1-phenylethyl]carbamate
CID 153190765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate (CID 110406811) is tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate is CC(C)CNC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is KFHGJQIRNWBNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)11-18-15(20)14(13-9-7-6-8-10-13)19-16(21)22-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate?
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 110406811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).