[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea

C15H16N4O4 — CID 26028190

IUPAC[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
SMILESCc1cc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)c(C)o1
InChIInChI=1S/C15H16N4O4/c1-8-7-12(9(2)23-8)14(21)19-18-13(20)10-3-5-11(6-4-10)17-15(16)22/h3-7H,1-2H3,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyYXEQAGXVONOFCT-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.46
Rot. Bonds3

About [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea

[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea (PubChem CID 26028190) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
PubChem CID26028190
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
SMILESCc1cc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)c(C)o1
InChIInChI=1S/C15H16N4O4/c1-8-7-12(9(2)23-8)14(21)19-18-13(20)10-3-5-11(6-4-10)17-15(16)22/h3-7H,1-2H3,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyYXEQAGXVONOFCT-UHFFFAOYSA-N
XLogP1.46
TPSA126.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 24557435
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4845850
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea?
The IUPAC name of [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea (CID 26028190) is [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea.
What is the SMILES notation for [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea?
The canonical SMILES for [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea is Cc1cc(C(=O)NNC(=O)c2ccc(NC(N)=O)cc2)c(C)o1.
What is the InChIKey of [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea?
The InChIKey is YXEQAGXVONOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-8-7-12(9(2)23-8)14(21)19-18-13(20)10-3-5-11(6-4-10)17-15(16)22/h3-7H,1-2H3,(H,18,20)(H,19,21)(H3,16,17,22).
What are the key properties of [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea?
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea has a molecular weight of 316.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea is sourced from PubChem (CID 26028190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).