5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide

C14H15N3O3 — CID 78981155

IUPAC5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(N)=NO)cc2)o1
InChIInChI=1S/C14H15N3O3/c1-2-11-7-8-12(20-11)14(18)16-10-5-3-9(4-6-10)13(15)17-19/h3-8,19H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFCMWJPVAKVUMKX-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.19
Rot. Bonds4

About 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide

5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide (PubChem CID 78981155) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
PubChem CID78981155
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(N)=NO)cc2)o1
InChIInChI=1S/C14H15N3O3/c1-2-11-7-8-12(20-11)14(18)16-10-5-3-9(4-6-10)13(15)17-19/h3-8,19H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFCMWJPVAKVUMKX-UHFFFAOYSA-N
XLogP2.19
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.19
H-Bond Donors ≤ 53
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

5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
CID 79085708
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethylfuran-2-carboxamide
CID 79084469
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide (CID 78981155) is 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(C(N)=NO)cc2)o1.
What is the InChIKey of 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide?
The InChIKey is FCMWJPVAKVUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-11-7-8-12(20-11)14(18)16-10-5-3-9(4-6-10)13(15)17-19/h3-8,19H,2H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide?
5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 78981155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).