2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide

C24H24N4O3 — CID 40571735

IUPAC2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
SMILESC[C@H](/C=N\NC(=O)c1ccc(C(=O)N/N=C\[C@@H](C)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-17(19-9-5-3-6-10-19)15-25-27-23(29)21-13-14-22(31-21)24(30)28-26-16-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,29)(H,28,30)/b25-15-,26-16-/t17-,18-/m1/s1
InChIKeyGUUZRXBELDZGCJ-CQLZRFFISA-N
MW416.48 g/mol
LogP4.32
Rot. Bonds8

About 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide

2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide (PubChem CID 40571735) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
PubChem CID40571735
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
SMILESC[C@H](/C=N\NC(=O)c1ccc(C(=O)N/N=C\[C@@H](C)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C24H24N4O3/c1-17(19-9-5-3-6-10-19)15-25-27-23(29)21-13-14-22(31-21)24(30)28-26-16-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,29)(H,28,30)/b25-15-,26-16-/t17-,18-/m1/s1
InChIKeyGUUZRXBELDZGCJ-CQLZRFFISA-N
XLogP4.32
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
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

2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide
CID 4614980
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide (CID 40571735) is 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide is C[C@H](/C=N\NC(=O)c1ccc(C(=O)N/N=C\[C@@H](C)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide?
The InChIKey is GUUZRXBELDZGCJ-CQLZRFFISA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17(19-9-5-3-6-10-19)15-25-27-23(29)21-13-14-22(31-21)24(30)28-26-16-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,29)(H,28,30)/b25-15-,26-16-/t17-,18-/m1/s1.
What are the key properties of 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide is sourced from PubChem (CID 40571735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).