5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid

C18H19N3O5 — CID 7261370

IUPAC5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C18H19N3O5/c1-12(20-21-18(25)15-4-3-11-26-15)13-7-9-14(10-8-13)19-16(22)5-2-6-17(23)24/h3-4,7-11H,2,5-6H2,1H3,(H,19,22)(H,21,25)(H,23,24)/b20-12+
InChIKeyFCNWZIMYCAMOQT-UDWIEESQSA-N
MW357.37 g/mol
LogP2.63
Rot. Bonds8

About 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid

5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid (PubChem CID 7261370) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
PubChem CID7261370
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C18H19N3O5/c1-12(20-21-18(25)15-4-3-11-26-15)13-7-9-14(10-8-13)19-16(22)5-2-6-17(23)24/h3-4,7-11H,2,5-6H2,1H3,(H,19,22)(H,21,25)(H,23,24)/b20-12+
InChIKeyFCNWZIMYCAMOQT-UDWIEESQSA-N
XLogP2.63
TPSA121.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 9175372
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
5-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid
CID 6155679
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
CID 3545367
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
N-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 40565634

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid (CID 7261370) is 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid is C/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid?
The InChIKey is FCNWZIMYCAMOQT-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12(20-21-18(25)15-4-3-11-26-15)13-7-9-14(10-8-13)19-16(22)5-2-6-17(23)24/h3-4,7-11H,2,5-6H2,1H3,(H,19,22)(H,21,25)(H,23,24)/b20-12+.
What are the key properties of 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid?
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid has a molecular weight of 357.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid is sourced from PubChem (CID 7261370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).