(3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid

C17H27NO2 — CID 152755851

IUPAC(3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid
SMILESCc1c(C(C)(C)C)cc(N(C)C(=O)O)cc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-11-13(16(2,3)4)9-12(18(8)15(19)20)10-14(11)17(5,6)7/h9-10H,1-8H3,(H,19,20)
InChIKeyRYKPTJYXTMBLRD-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.70
Rot. Bonds1

About (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid

(3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid (PubChem CID 152755851) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid
PubChem CID152755851
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid
SMILESCc1c(C(C)(C)C)cc(N(C)C(=O)O)cc1C(C)(C)C
InChIInChI=1S/C17H27NO2/c1-11-13(16(2,3)4)9-12(18(8)15(19)20)10-14(11)17(5,6)7/h9-10H,1-8H3,(H,19,20)
InChIKeyRYKPTJYXTMBLRD-UHFFFAOYSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid?
The IUPAC name of (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid (CID 152755851) is (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid.
What is the SMILES notation for (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid?
The canonical SMILES for (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid is Cc1c(C(C)(C)C)cc(N(C)C(=O)O)cc1C(C)(C)C.
What is the InChIKey of (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid?
The InChIKey is RYKPTJYXTMBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-13(16(2,3)4)9-12(18(8)15(19)20)10-14(11)17(5,6)7/h9-10H,1-8H3,(H,19,20).
What are the key properties of (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid?
(3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid has a molecular weight of 277.41 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-methylphenyl)-methylcarbamic acid is sourced from PubChem (CID 152755851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).