1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea

C15H15N3O4 — CID 1225435

IUPAC1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-10-3-5-11(6-4-10)16-15(19)17-12-7-13(18(20)21)9-14(8-12)22-2/h3-9H,1-2H3,(H2,16,17,19)
InChIKeyRMAVCEAOKKMEAX-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea

1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea (PubChem CID 1225435) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
PubChem CID1225435
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-10-3-5-11(6-4-10)16-15(19)17-12-7-13(18(20)21)9-14(8-12)22-2/h3-9H,1-2H3,(H2,16,17,19)
InChIKeyRMAVCEAOKKMEAX-UHFFFAOYSA-N
XLogP3.56
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(M-Anisyl)-3-benzylurea
CID 2822865
1-[2-(4-Methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2981704
N-(4-ethylphenyl)-N'-(3-methoxyphenyl)urea
CID 6469717
3-(3-Methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
CID 118735896
1-(3-Methoxyphenyl)-3-(O-tolyl)urea
CID 2787274
N-[3-[(4-nitrophenyl)methoxy]phenyl]acetamide
CID 309293
(2E)-N-(3-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 690307
(E)-N-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 890113
N-(3,5-dimethoxyphenyl)-N'-(3-nitrophenyl)urea
CID 970434
N-(2-fluorobenzyl)-N'-(3-methoxyphenyl)urea
CID 6467470
1-(1,3-Benzodioxol-5-yl)-3-(2-methyl-3-nitrophenyl)urea
CID 24818487
1-(3-Methoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818668

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea (CID 1225435) is 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea is COc1cc(NC(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea?
The InChIKey is RMAVCEAOKKMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10-3-5-11(6-4-10)16-15(19)17-12-7-13(18(20)21)9-14(8-12)22-2/h3-9H,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea?
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea has a molecular weight of 301.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 1225435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).