1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea

C15H17N3O4 — CID 970716

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCOc1ccc(C)cc1NC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C15H17N3O4/c1-9-4-5-13(21-3)12(8-9)16-15(20)18-17-14(19)11-6-7-22-10(11)2/h4-8H,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyMTZGNFBSZOVVEV-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.37
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea

1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea (PubChem CID 970716) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea
PubChem CID970716
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCOc1ccc(C)cc1NC(=O)NNC(=O)c1ccoc1C
InChIInChI=1S/C15H17N3O4/c1-9-4-5-13(21-3)12(8-9)16-15(20)18-17-14(19)11-6-7-22-10(11)2/h4-8H,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyMTZGNFBSZOVVEV-UHFFFAOYSA-N
XLogP2.37
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-3-furoyl)-N-(2-methylphenyl)hydrazinecarbothioamide
CID 843896
N-(2-methoxy-5-methylphenyl)-2-methylfuran-3-carboxamide
CID 887290
N-(2-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 887895
2-(2-methyl-3-furoyl)-N-phenylhydrazinecarbothioamide
CID 877023
N-(2,4-difluorophenyl)-2-(2-methyl-3-furoyl)hydrazinecarboxamide
CID 2954537
N-(2-methoxyphenyl)-2,5-dimethyl-3-furamide
CID 1247754
2-(2-methyl-3-furoyl)-N-(4-nitrophenyl)hydrazinecarboxamide
CID 3752463
1-[[(2-Methyl-3-furanyl)-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 970996
N-(5-tert-butyl-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 1244003
2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18104350
N-(2-ethoxyphenyl)furan-3-carboxamide
CID 25567089
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 16234995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea (CID 970716) is 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea is COc1ccc(C)cc1NC(=O)NNC(=O)c1ccoc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
The InChIKey is MTZGNFBSZOVVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-4-5-13(21-3)12(8-9)16-15(20)18-17-14(19)11-6-7-22-10(11)2/h4-8H,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea?
1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea has a molecular weight of 303.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(2-methylfuran-3-carbonyl)amino]urea is sourced from PubChem (CID 970716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).