1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea

C17H18N4O5 — CID 24819119

IUPAC1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
SMILESCc1cccc(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C17H18N4O5/c1-11-4-3-5-15(12(11)2)18-17(23)20-19-16(22)10-26-14-8-6-13(7-9-14)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)(H2,18,20,23)
InChIKeyYEPRFCYZAGDDIX-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.44
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea

1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea (PubChem CID 24819119) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
PubChem CID24819119
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
SMILESCc1cccc(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C17H18N4O5/c1-11-4-3-5-15(12(11)2)18-17(23)20-19-16(22)10-26-14-8-6-13(7-9-14)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)(H2,18,20,23)
InChIKeyYEPRFCYZAGDDIX-UHFFFAOYSA-N
XLogP2.44
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea 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

N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
1-(4-nitrophenyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]urea
CID 18871035
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
1-(2,3-dimethylphenyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 40632106
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea (CID 24819119) is 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea is Cc1cccc(NC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea?
The InChIKey is YEPRFCYZAGDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-11-4-3-5-15(12(11)2)18-17(23)20-19-16(22)10-26-14-8-6-13(7-9-14)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)(H2,18,20,23).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea?
1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea has a molecular weight of 358.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea is sourced from PubChem (CID 24819119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).