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

C11H15N3O3 — CID 113229838

IUPAC1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
SMILESCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C11H15N3O3/c1-4-13(3)11(15)12-10-7-9(14(16)17)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,12,15)
InChIKeyHWLCUBWBMFNCKN-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.39
Rot. Bonds3

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

1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea (PubChem CID 113229838) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
PubChem CID113229838
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
SMILESCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C11H15N3O3/c1-4-13(3)11(15)12-10-7-9(14(16)17)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,12,15)
InChIKeyHWLCUBWBMFNCKN-UHFFFAOYSA-N
XLogP2.39
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-ethyl-3-(2-hydroxy-5-nitrophenyl)-1-methylurea
CID 107745893
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
1-methyl-3-(2-methyl-5-nitrophenyl)-1-[1-(3-nitrophenyl)ethyl]urea
CID 55696959
1-(2-methyl-5-nitrophenyl)-3-propylthiourea
CID 8620233
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8712213
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 75405381
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
1-butyl-3-(2-methyl-5-nitrophenyl)thiourea
CID 2346110
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea (CID 113229838) is 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea is CCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea?
The InChIKey is HWLCUBWBMFNCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-13(3)11(15)12-10-7-9(14(16)17)6-5-8(10)2/h5-7H,4H2,1-3H3,(H,12,15).
What are the key properties of 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea?
1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea has a molecular weight of 237.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea is sourced from PubChem (CID 113229838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).