tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate

C16H22N4O3 — CID 170157848

IUPACtert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](NC1=NCC(=O)N1)c1ccccc1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-9-12(11-7-5-4-6-8-11)19-14-17-10-13(21)20-14/h4-8,12H,9-10H2,1-3H3,(H,18,22)(H2,17,19,20,21)/t12-/m0/s1
InChIKeyKWCSGVDHCDPFNM-LBPRGKRZSA-N
MW318.38 g/mol
LogP1.33
Rot. Bonds4

About tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate

tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate (PubChem CID 170157848) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate
PubChem CID170157848
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](NC1=NCC(=O)N1)c1ccccc1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-9-12(11-7-5-4-6-8-11)19-14-17-10-13(21)20-14/h4-8,12H,9-10H2,1-3H3,(H,18,22)(H2,17,19,20,21)/t12-/m0/s1
InChIKeyKWCSGVDHCDPFNM-LBPRGKRZSA-N
XLogP1.33
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
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tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
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tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
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tert-butyl N-[2-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]ethyl]carbamate
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tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate (CID 170157848) is tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](NC1=NCC(=O)N1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate?
The InChIKey is KWCSGVDHCDPFNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-9-12(11-7-5-4-6-8-11)19-14-17-10-13(21)20-14/h4-8,12H,9-10H2,1-3H3,(H,18,22)(H2,17,19,20,21)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate?
tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate has a molecular weight of 318.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate is sourced from PubChem (CID 170157848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).