(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate

C18H20N2O4 — CID 87699269

IUPAC(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
SMILESCC(C)(C)c1ccc(OC(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)13-6-10-15(11-7-13)24-17(22)19-14-8-4-12(5-9-14)16(21)20-23/h4-11,23H,1-3H3,(H,19,22)(H,20,21)
InChIKeyFDWFPUPENKKDQM-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.71
Rot. Bonds3

About (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate

(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate (PubChem CID 87699269) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
PubChem CID87699269
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
SMILESCC(C)(C)c1ccc(OC(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)13-6-10-15(11-7-13)24-17(22)19-14-8-4-12(5-9-14)16(21)20-23/h4-11,23H,1-3H3,(H,19,22)(H,20,21)
InChIKeyFDWFPUPENKKDQM-UHFFFAOYSA-N
XLogP3.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
(3,4-dipropoxyphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate
CID 87611556
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
(4-tert-butylphenyl) N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672331
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
CID 6952976
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
The IUPAC name of (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate (CID 87699269) is (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate.
What is the SMILES notation for (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
The canonical SMILES for (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate is CC(C)(C)c1ccc(OC(=O)Nc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
The InChIKey is FDWFPUPENKKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2,3)13-6-10-15(11-7-13)24-17(22)19-14-8-4-12(5-9-14)16(21)20-23/h4-11,23H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate?
(4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) N-[4-(hydroxycarbamoyl)phenyl]carbamate is sourced from PubChem (CID 87699269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).