tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate

C20H25NO2 — CID 15417599

IUPACtert-butyl N-(1,3-diphenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)23-19(22)21-18(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,21,22)
InChIKeyONYDVYRHSWCREB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate

tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate (PubChem CID 15417599) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-diphenylpropan-2-yl)carbamate
PubChem CID15417599
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Nametert-butyl N-(1,3-diphenylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)23-19(22)21-18(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,21,22)
InChIKeyONYDVYRHSWCREB-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(Dimethylamino)butyl 3-phenylpropylcarbamate
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Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
N-(1-benzyl-2-phenylethyl)acetamide
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tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
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tert-butyl (1S)-1-benzyl-2-oxobut-3-enylcarbamate
CID 15296047
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
N-(1,3-diphenylpropan-2-yl)formamide
CID 224461
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate (CID 15417599) is tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate?
The InChIKey is ONYDVYRHSWCREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)23-19(22)21-18(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate?
tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate has a molecular weight of 311.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-diphenylpropan-2-yl)carbamate is sourced from PubChem (CID 15417599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).