tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate

C18H20N2O4 — CID 131844196

IUPACtert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)24-17(23)20-14-9-7-13(8-10-14)19-16(22)12-5-4-6-15(21)11-12/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyRNTWNVNKAJLCKX-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate

tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate (PubChem CID 131844196) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
PubChem CID131844196
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nametert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-18(2,3)24-17(23)20-14-9-7-13(8-10-14)19-16(22)12-5-4-6-15(21)11-12/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyRNTWNVNKAJLCKX-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
CID 55532756
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
3-hydroxy-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933166
tert-butyl N-[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921392

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate (CID 131844196) is tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(O)c2)cc1.
What is the InChIKey of tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate?
The InChIKey is RNTWNVNKAJLCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2,3)24-17(23)20-14-9-7-13(8-10-14)19-16(22)12-5-4-6-15(21)11-12/h4-11,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate?
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 131844196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).