[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate

C16H17N3O3 — CID 134123027

IUPAC[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
SMILESCNC(=O)Nc1cccc(OC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17N3O3/c1-11-6-8-12(9-7-11)19-16(21)22-14-5-3-4-13(10-14)18-15(20)17-2/h3-10H,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyBUUGWGGCJDENBN-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.36
Rot. Bonds3

About [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate

[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate (PubChem CID 134123027) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
PubChem CID134123027
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
SMILESCNC(=O)Nc1cccc(OC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17N3O3/c1-11-6-8-12(9-7-11)19-16(21)22-14-5-3-4-13(10-14)18-15(20)17-2/h3-10H,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyBUUGWGGCJDENBN-UHFFFAOYSA-N
XLogP3.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate 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

[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate
CID 134094489
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea
CID 143402372
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
O-[3-(methylcarbamoylamino)phenyl] N-(cyanomethyl)-N-(4-methylphenyl)carbamothioate
CID 54053966
bis[3-[[3-[(3-methylphenyl)carbamoyloxy]phenyl]carbamoylamino]phenyl] benzene-1,3-disulfonate
CID 155659667

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate?
The IUPAC name of [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate (CID 134123027) is [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate?
The canonical SMILES for [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate is CNC(=O)Nc1cccc(OC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate?
The InChIKey is BUUGWGGCJDENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-6-8-12(9-7-11)19-16(21)22-14-5-3-4-13(10-14)18-15(20)17-2/h3-10H,1-2H3,(H,19,21)(H2,17,18,20).
What are the key properties of [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate?
[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate has a molecular weight of 299.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 134123027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).