4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid

C19H20N2O5 — CID 68734535

IUPAC4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O5/c1-19(2,3)26-18(25)21-15-7-5-4-6-14(15)20-16(22)12-8-10-13(11-9-12)17(23)24/h4-11H,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyZOVZLNNQYBZRMB-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.98
Rot. Bonds4

About 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid

4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid (PubChem CID 68734535) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
PubChem CID68734535
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N2O5/c1-19(2,3)26-18(25)21-15-7-5-4-6-14(15)20-16(22)12-8-10-13(11-9-12)17(23)24/h4-11H,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKeyZOVZLNNQYBZRMB-UHFFFAOYSA-N
XLogP3.98
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid with MolForge

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Related Compounds

tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
CID 20786184
tert-butyl N-[2-[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoyl]amino]phenyl]carbamate;ethane
CID 176715043
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[3-oxo-3-[2-[(4-phenylbenzoyl)amino]anilino]propyl]carbamate
CID 108920192
tert-butyl N-[2-[[4-[4-hydroxy-2-(phenylcarbamoyl)butyl]benzoyl]amino]phenyl]carbamate
CID 58001205
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
CID 145482017
tert-butyl N-[3-[2-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108920191
tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate
CID 89027172
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
CID 170985606
[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
CID 66622033

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid (CID 68734535) is 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid is CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid?
The InChIKey is ZOVZLNNQYBZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-19(2,3)26-18(25)21-15-7-5-4-6-14(15)20-16(22)12-8-10-13(11-9-12)17(23)24/h4-11H,1-3H3,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid?
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid has a molecular weight of 356.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 68734535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).