[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid

C19H21N3O5 — CID 18416506

IUPAC[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)O)c2)cc1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)27-18(26)22-14-9-7-13(8-10-14)20-16(23)12-5-4-6-15(11-12)21-17(24)25/h4-11,21H,1-3H3,(H,20,23)(H,22,26)(H,24,25)
InChIKeyYAEABNIQBBIXDJ-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.38
Rot. Bonds4

About [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid

[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid (PubChem CID 18416506) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
PubChem CID18416506
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)O)c2)cc1
InChIInChI=1S/C19H21N3O5/c1-19(2,3)27-18(26)22-14-9-7-13(8-10-14)20-16(23)12-5-4-6-15(11-12)21-17(24)25/h4-11,21H,1-3H3,(H,20,23)(H,22,26)(H,24,25)
InChIKeyYAEABNIQBBIXDJ-UHFFFAOYSA-N
XLogP4.38
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid 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

tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
CID 55532756
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 139764509
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylic acid
CID 142617172
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
tert-butyl N-[3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55984007

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid?
The IUPAC name of [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid (CID 18416506) is [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid?
The canonical SMILES for [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid is CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)O)c2)cc1.
What is the InChIKey of [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid?
The InChIKey is YAEABNIQBBIXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-19(2,3)27-18(26)22-14-9-7-13(8-10-14)20-16(23)12-5-4-6-15(11-12)21-17(24)25/h4-11,21H,1-3H3,(H,20,23)(H,22,26)(H,24,25).
What are the key properties of [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid?
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid has a molecular weight of 371.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid is sourced from PubChem (CID 18416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).