N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide

C20H22N4O2 — CID 21214243

IUPACN-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
SMILESCC(C=NNC(=O)C(=O)N/N=C/C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-15(17-9-5-3-6-10-17)13-21-23-19(25)20(26)24-22-14-16(2)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,25)(H,24,26)/b21-13+,22-14?
InChIKeyHFVKUHLZKBLKBC-PEWBLEDYSA-N
MW350.42 g/mol
LogP2.80
Rot. Bonds6

About N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide

N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide (PubChem CID 21214243) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
PubChem CID21214243
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
SMILESCC(C=NNC(=O)C(=O)N/N=C/C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-15(17-9-5-3-6-10-17)13-21-23-19(25)20(26)24-22-14-16(2)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,25)(H,24,26)/b21-13+,22-14?
InChIKeyHFVKUHLZKBLKBC-PEWBLEDYSA-N
XLogP2.80
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 19659235
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 9074824
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclohexanecarboxamide
CID 27459213
N-[(Z)-[(2R)-2-phenylpropylidene]amino]cyclohexanecarboxamide
CID 27459209
N-(2-phenylpropylideneamino)heptanamide
CID 4588696
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide?
The IUPAC name of N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide (CID 21214243) is N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide.
What is the SMILES notation for N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide?
The canonical SMILES for N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide is CC(C=NNC(=O)C(=O)N/N=C/C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide?
The InChIKey is HFVKUHLZKBLKBC-PEWBLEDYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(17-9-5-3-6-10-17)13-21-23-19(25)20(26)24-22-14-16(2)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,25)(H,24,26)/b21-13+,22-14?.
What are the key properties of N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide?
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide has a molecular weight of 350.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide is sourced from PubChem (CID 21214243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).