[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate

C21H28N2O2 — CID 15675184

IUPAC[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-14(2)17-11-8-12-18(15(3)4)20(17)25-21(24)23-13-19(22)16-9-6-5-7-10-16/h5-12,14-15,19H,13,22H2,1-4H3,(H,23,24)
InChIKeySSWIYARFFICGPV-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.72
Rot. Bonds6

About [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate

[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate (PubChem CID 15675184) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
PubChem CID15675184
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-14(2)17-11-8-12-18(15(3)4)20(17)25-21(24)23-13-19(22)16-9-6-5-7-10-16/h5-12,14-15,19H,13,22H2,1-4H3,(H,23,24)
InChIKeySSWIYARFFICGPV-UHFFFAOYSA-N
XLogP4.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-amino-2-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67941886
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 119529545
[2,6-di(propan-2-yl)phenyl] 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200141
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate
CID 174786679
N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
CID 119528615

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate (CID 15675184) is [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate is CC(C)c1cccc(C(C)C)c1OC(=O)NCC(N)c1ccccc1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate?
The InChIKey is SSWIYARFFICGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)17-11-8-12-18(15(3)4)20(17)25-21(24)23-13-19(22)16-9-6-5-7-10-16/h5-12,14-15,19H,13,22H2,1-4H3,(H,23,24).
What are the key properties of [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate?
[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate has a molecular weight of 340.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate is sourced from PubChem (CID 15675184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).