tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate

C18H28N2O3 — CID 86611436

IUPACtert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
SMILESCC(C)[C@H](CNC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)15(20-17(22)23-18(3,4)5)12-19-16(21)11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyJYAVUKQNEJUYHZ-HNNXBMFYSA-N
MW320.43 g/mol
LogP2.89
Rot. Bonds6

About tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate

tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate (PubChem CID 86611436) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
PubChem CID86611436
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
SMILESCC(C)[C@H](CNC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)15(20-17(22)23-18(3,4)5)12-19-16(21)11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyJYAVUKQNEJUYHZ-HNNXBMFYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[1-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-3-methylbutan-2-yl]carbamate
CID 86956613
tert-butyl N-[3-methyl-1-(2-phenylbutanoylamino)butan-2-yl]carbamate
CID 86956665
tert-butyl N-[3-methyl-1-(2-phenylsulfanylpropanoylamino)butan-2-yl]carbamate
CID 86956632
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
benzyl (4S)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 138971516
benzyl N-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 77305270
tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434
tert-butyl N-[1-[[4-(difluoromethylsulfanyl)benzoyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956683
methyl 2-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]methyl]benzoate
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tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate (CID 86611436) is tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate is CC(C)[C@H](CNC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate?
The InChIKey is JYAVUKQNEJUYHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)15(20-17(22)23-18(3,4)5)12-19-16(21)11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate?
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 86611436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).