N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

C21H19N3O4 — CID 40568661

IUPACN-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H19N3O4/c1-14(23-24-21(27)19(25)16-6-3-2-4-7-16)15-9-11-17(12-10-15)22-20(26)18-8-5-13-28-18/h2-13,19,25H,1H3,(H,22,26)(H,24,27)/b23-14-/t19-/m1/s1
InChIKeyGJXMLYAANHCHCQ-JVMBGAFUSA-N
MW377.40 g/mol
LogP3.11
Rot. Bonds6

About N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 40568661) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID40568661
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H19N3O4/c1-14(23-24-21(27)19(25)16-6-3-2-4-7-16)15-9-11-17(12-10-15)22-20(26)18-8-5-13-28-18/h2-13,19,25H,1H3,(H,22,26)(H,24,27)/b23-14-/t19-/m1/s1
InChIKeyGJXMLYAANHCHCQ-JVMBGAFUSA-N
XLogP3.11
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.11
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-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5430437
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 172982960
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CID 40568661) is N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is GJXMLYAANHCHCQ-JVMBGAFUSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(23-24-21(27)19(25)16-6-3-2-4-7-16)15-9-11-17(12-10-15)22-20(26)18-8-5-13-28-18/h2-13,19,25H,1H3,(H,22,26)(H,24,27)/b23-14-/t19-/m1/s1.
What are the key properties of N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 40568661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).