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

C15H17N3O3 — CID 79085708

IUPAC5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(C(N)=NO)ccc2C)o1
InChIInChI=1S/C15H17N3O3/c1-3-11-6-7-13(21-11)15(19)17-12-8-10(14(16)18-20)5-4-9(12)2/h4-8,20H,3H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKQVWRCKTXILTTD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds4

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

5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 79085708) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID79085708
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(C(N)=NO)ccc2C)o1
InChIInChI=1S/C15H17N3O3/c1-3-11-6-7-13(21-11)15(19)17-12-8-10(14(16)18-20)5-4-9(12)2/h4-8,20H,3H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyKQVWRCKTXILTTD-UHFFFAOYSA-N
XLogP2.50
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
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-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
CID 78981155
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
ethyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 76935517
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-3-carboxamide
CID 76935512
4-[(5-ethylfuran-2-carbonyl)amino]-3-methylbenzoic acid
CID 43351217
4-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935592
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]butanamide
CID 62104147
1,1-diethyl-3-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]urea
CID 79162284
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 107790393
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide (CID 79085708) is 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2cc(C(N)=NO)ccc2C)o1.
What is the InChIKey of 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is KQVWRCKTXILTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-11-6-7-13(21-11)15(19)17-12-8-10(14(16)18-20)5-4-9(12)2/h4-8,20H,3H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide?
5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 79085708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).