N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide

C16H17N3O4 — CID 7808968

IUPACN-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H17N3O4/c1-9-7-14(10(2)23-9)16(22)19-18-15(21)12-5-4-6-13(8-12)17-11(3)20/h4-8H,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyILTYRDLDDYGOHC-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.93
Rot. Bonds3

About N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide

N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 7808968) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
PubChem CID7808968
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H17N3O4/c1-9-7-14(10(2)23-9)16(22)19-18-15(21)12-5-4-6-13(8-12)17-11(3)20/h4-8H,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyILTYRDLDDYGOHC-UHFFFAOYSA-N
XLogP1.93
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.93
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

N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2594236
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
CID 55407334
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide (CID 7808968) is N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is ILTYRDLDDYGOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-7-14(10(2)23-9)16(22)19-18-15(21)12-5-4-6-13(8-12)17-11(3)20/h4-8H,1-3H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide?
N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 7808968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).