(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C19H32BrNO3 — CID 158343850

IUPAC(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCc1cc(Br)cc(CC)c1NC(=O)O
InChIInChI=1S/C11H14BrNO2.C8H18O/c1-3-7-5-9(12)6-8(4-2)10(7)13-11(14)15;1-7(2,3)9-8(4,5)6/h5-6,13H,3-4H2,1-2H3,(H,14,15);1-6H3
InChIKeyGRMIKWOFKNCVTQ-UHFFFAOYSA-N
MW402.37 g/mol
LogP6.26
Rot. Bonds3

About (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 158343850) has the molecular formula C19H32BrNO3 and a molecular weight of 402.37 g/mol. Its IUPAC name is (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID158343850
Molecular FormulaC19H32BrNO3
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Name(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CCc1cc(Br)cc(CC)c1NC(=O)O
InChIInChI=1S/C11H14BrNO2.C8H18O/c1-3-7-5-9(12)6-8(4-2)10(7)13-11(14)15;1-7(2,3)9-8(4,5)6/h5-6,13H,3-4H2,1-2H3,(H,14,15);1-6H3
InChIKeyGRMIKWOFKNCVTQ-UHFFFAOYSA-N
XLogP6.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
N-(4-tert-butyl-2,6-diethylphenyl)acetamide
CID 517593
tert-butyl N-(2-chloro-6-ethyl-4-methylphenyl)carbamate
CID 58892825
methyl 4-bromo-2-ethyl-6-methylbenzoate
CID 130064455
N-(4-bromo-2,6-diethylphenyl)-5-ethyl-4-iodo-2,6-dimethylpyridine-3-carboxamide
CID 22152871
(2,4-dibromo-6-ethylphenyl)thiourea
CID 169356329
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
[5-bromo-2-iodo-3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 122597827
N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)pyridine-3-carboxamide
CID 54478269
N-(4-bromo-2,6-diethylphenyl)-4-butyl-2,6-bis(trifluoromethyl)pyridine-3-carboxamide
CID 139650584
tert-butyl 4-(4-bromo-2,6-dimethylanilino)-4-oxobutanoate
CID 106706698
4-bromo-N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-5-(2-methylpropyl)pyridine-3-carboxamide
CID 22153006

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 158343850) is (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(C)(C)C.CCc1cc(Br)cc(CC)c1NC(=O)O.
What is the InChIKey of (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is GRMIKWOFKNCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2.C8H18O/c1-3-7-5-9(12)6-8(4-2)10(7)13-11(14)15;1-7(2,3)9-8(4,5)6/h5-6,13H,3-4H2,1-2H3,(H,14,15);1-6H3.
What are the key properties of (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 402.37 g/mol, XLogP of 6.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 158343850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).