[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate

C17H28N2O2 — CID 174496927

IUPAC[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate
SMILESCCN(CC)c1cc(C)c(CC(C)(C)OC(N)=O)cc1C
InChIInChI=1S/C17H28N2O2/c1-7-19(8-2)15-10-12(3)14(9-13(15)4)11-17(5,6)21-16(18)20/h9-10H,7-8,11H2,1-6H3,(H2,18,20)
InChIKeyGCGUMHHNCIUJDD-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.57
Rot. Bonds6

About [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate

[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 174496927) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate
PubChem CID174496927
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate
SMILESCCN(CC)c1cc(C)c(CC(C)(C)OC(N)=O)cc1C
InChIInChI=1S/C17H28N2O2/c1-7-19(8-2)15-10-12(3)14(9-13(15)4)11-17(5,6)21-16(18)20/h9-10H,7-8,11H2,1-6H3,(H2,18,20)
InChIKeyGCGUMHHNCIUJDD-UHFFFAOYSA-N
XLogP3.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate (CID 174496927) is [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate is CCN(CC)c1cc(C)c(CC(C)(C)OC(N)=O)cc1C.
What is the InChIKey of [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is GCGUMHHNCIUJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-19(8-2)15-10-12(3)14(9-13(15)4)11-17(5,6)21-16(18)20/h9-10H,7-8,11H2,1-6H3,(H2,18,20).
What are the key properties of [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 174496927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).