1-ethyl-3-(2-methyl-5-nitrophenyl)urea

C10H13N3O3 — CID 103600891

IUPAC1-ethyl-3-(2-methyl-5-nitrophenyl)urea
SMILESCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C10H13N3O3/c1-3-11-10(14)12-9-6-8(13(15)16)5-4-7(9)2/h4-6H,3H2,1-2H3,(H2,11,12,14)
InChIKeyQBRYLCPZSINJDS-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.04
Rot. Bonds3

About 1-ethyl-3-(2-methyl-5-nitrophenyl)urea

1-ethyl-3-(2-methyl-5-nitrophenyl)urea (PubChem CID 103600891) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-5-nitrophenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-5-nitrophenyl)urea
PubChem CID103600891
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-ethyl-3-(2-methyl-5-nitrophenyl)urea
SMILESCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C10H13N3O3/c1-3-11-10(14)12-9-6-8(13(15)16)5-4-7(9)2/h4-6H,3H2,1-2H3,(H2,11,12,14)
InChIKeyQBRYLCPZSINJDS-UHFFFAOYSA-N
XLogP2.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2-methyl-5-nitrophenyl)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

4-[(2-methyl-5-nitrophenyl)carbamoylamino]butanoic acid
CID 122073503
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
1-[(1-hydroxycyclobutyl)methyl]-3-(2-methyl-5-nitrophenyl)urea
CID 111437454
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-(2-methyl-5-nitrophenyl)-3-propylthiourea
CID 8620233
1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
CID 113229838
2-cyano-N-(2-methyl-5-nitrophenyl)butanamide
CID 114009708
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
CID 110890326
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-5-nitrophenyl)urea?
The IUPAC name of 1-ethyl-3-(2-methyl-5-nitrophenyl)urea (CID 103600891) is 1-ethyl-3-(2-methyl-5-nitrophenyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-methyl-5-nitrophenyl)urea?
The canonical SMILES for 1-ethyl-3-(2-methyl-5-nitrophenyl)urea is CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 1-ethyl-3-(2-methyl-5-nitrophenyl)urea?
The InChIKey is QBRYLCPZSINJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-11-10(14)12-9-6-8(13(15)16)5-4-7(9)2/h4-6H,3H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(2-methyl-5-nitrophenyl)urea?
1-ethyl-3-(2-methyl-5-nitrophenyl)urea has a molecular weight of 223.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-5-nitrophenyl)urea is sourced from PubChem (CID 103600891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).