propan-2-yl N-(1,2-diphenylethyl)carbamate

C18H21NO2 — CID 3759782

IUPACpropan-2-yl N-(1,2-diphenylethyl)carbamate
SMILESCC(C)OC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(2)21-18(20)19-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChIKeyMYTUOHIXQFKPEZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.11
Rot. Bonds5

About propan-2-yl N-(1,2-diphenylethyl)carbamate

propan-2-yl N-(1,2-diphenylethyl)carbamate (PubChem CID 3759782) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is propan-2-yl N-(1,2-diphenylethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1,2-diphenylethyl)carbamate
PubChem CID3759782
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namepropan-2-yl N-(1,2-diphenylethyl)carbamate
SMILESCC(C)OC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(2)21-18(20)19-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20)
InChIKeyMYTUOHIXQFKPEZ-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Iprovalicarb
CID 10958189
Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 16212118
Benzyl 1-phenylethylcarbamate
CID 9837961
N-Benzhydrylacetamide
CID 614461
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
N-(diphenylmethyl)-2-methoxyacetamide
CID 798780
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1,2-diphenylethyl)carbamate?
The IUPAC name of propan-2-yl N-(1,2-diphenylethyl)carbamate (CID 3759782) is propan-2-yl N-(1,2-diphenylethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(1,2-diphenylethyl)carbamate?
The canonical SMILES for propan-2-yl N-(1,2-diphenylethyl)carbamate is CC(C)OC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of propan-2-yl N-(1,2-diphenylethyl)carbamate?
The InChIKey is MYTUOHIXQFKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(2)21-18(20)19-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,19,20).
What are the key properties of propan-2-yl N-(1,2-diphenylethyl)carbamate?
propan-2-yl N-(1,2-diphenylethyl)carbamate has a molecular weight of 283.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1,2-diphenylethyl)carbamate is sourced from PubChem (CID 3759782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).