phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate

C15H15N3O3 — CID 150593282

IUPACphenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate
SMILESCc1ccc(N(N)C(=O)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c1-11-7-9-12(10-8-11)18(16)14(19)17-15(20)21-13-5-3-2-4-6-13/h2-10H,16H2,1H3,(H,17,19,20)
InChIKeyIQHZJGHBNPMDLA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.58
Rot. Bonds2

About phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate

phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate (PubChem CID 150593282) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Namephenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate
PubChem CID150593282
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namephenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate
SMILESCc1ccc(N(N)C(=O)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c1-11-7-9-12(10-8-11)18(16)14(19)17-15(20)21-13-5-3-2-4-6-13/h2-10H,16H2,1H3,(H,17,19,20)
InChIKeyIQHZJGHBNPMDLA-UHFFFAOYSA-N
XLogP2.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl N-[amino-(4-methylphenyl)carbamoyl]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

phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
(4-methylphenyl) N-benzylcarbamate
CID 14292552
(3-methylphenyl) N-benzoylcarbamate
CID 790837
phenyl N-(2-aminoacetyl)carbamate
CID 20596874
phenyl N-(propanoylcarbamoyl)carbamate
CID 564970
(4-methylphenyl) N-phenoxysulfonylcarbamate
CID 142655832
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-(propan-2-ylcarbamothioyl)carbamate
CID 21284116
(4-methylphenoxy)-phenoxycarbonyloxyborinic acid
CID 139843162
methyl 2-phenoxyprop-2-enoate;toluene
CID 174856414

Frequently Asked Questions

What is the IUPAC name of phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate?
The IUPAC name of phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate (CID 150593282) is phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate.
What is the SMILES notation for phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate?
The canonical SMILES for phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate is Cc1ccc(N(N)C(=O)NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate?
The InChIKey is IQHZJGHBNPMDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-7-9-12(10-8-11)18(16)14(19)17-15(20)21-13-5-3-2-4-6-13/h2-10H,16H2,1H3,(H,17,19,20).
What are the key properties of phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate?
phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate has a molecular weight of 285.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[amino-(4-methylphenyl)carbamoyl]carbamate is sourced from PubChem (CID 150593282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).