3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide

C15H17N3O3 — CID 76979523

IUPAC3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ccco1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H17N3O3/c1-18(14(19)9-8-13-3-2-10-21-13)12-6-4-11(5-7-12)15(16)17-20/h2-7,10,20H,8-9H2,1H3,(H2,16,17)
InChIKeyJWJGYFTUZWPUBH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.97
Rot. Bonds5

About 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide

3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide (PubChem CID 76979523) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide
PubChem CID76979523
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide
SMILESCN(C(=O)CCc1ccco1)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H17N3O3/c1-18(14(19)9-8-13-3-2-10-21-13)12-6-4-11(5-7-12)15(16)17-20/h2-7,10,20H,8-9H2,1H3,(H2,16,17)
InChIKeyJWJGYFTUZWPUBH-UHFFFAOYSA-N
XLogP1.97
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
CID 104698066
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132
N-(3-carbamothioylphenyl)-3-(furan-2-yl)-N-methylpropanamide
CID 62971167
3-(furan-2-yl)-N-methyl-N-naphthalen-2-ylpropanamide
CID 8851932
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-2-thiophen-2-ylacetamide
CID 76979565
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(furan-2-yl)propanamide
CID 107790367
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
CID 76952808
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide (CID 76979523) is 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide is CN(C(=O)CCc1ccco1)c1ccc(C(N)=NO)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide?
The InChIKey is JWJGYFTUZWPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(14(19)9-8-13-3-2-10-21-13)12-6-4-11(5-7-12)15(16)17-20/h2-7,10,20H,8-9H2,1H3,(H2,16,17).
What are the key properties of 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide?
3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide has a molecular weight of 287.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide is sourced from PubChem (CID 76979523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).