N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide

C25H21N3O2 — CID 7038993

IUPACN'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-17(18-9-3-2-4-10-18)27-24(29)25(30)28-26-16-23-21-13-7-5-11-19(21)15-20-12-6-8-14-22(20)23/h2-17H,1H3,(H,27,29)(H,28,30)/b26-16-/t17-/m1/s1
InChIKeyGPZFUKBRSPMGSM-LYVYQLNUSA-N
MW395.46 g/mol
LogP4.32
Rot. Bonds4

About N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide

N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide (PubChem CID 7038993) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
PubChem CID7038993
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-17(18-9-3-2-4-10-18)27-24(29)25(30)28-26-16-23-21-13-7-5-11-19(21)15-20-12-6-8-14-22(20)23/h2-17H,1H3,(H,27,29)(H,28,30)/b26-16-/t17-/m1/s1
InChIKeyGPZFUKBRSPMGSM-LYVYQLNUSA-N
XLogP4.32
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958
(2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide
CID 5435830
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
CID 5375697
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135821297
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135699327
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide (CID 7038993) is N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1.
What is the InChIKey of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The InChIKey is GPZFUKBRSPMGSM-LYVYQLNUSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17(18-9-3-2-4-10-18)27-24(29)25(30)28-26-16-23-21-13-7-5-11-19(21)15-20-12-6-8-14-22(20)23/h2-17H,1H3,(H,27,29)(H,28,30)/b26-16-/t17-/m1/s1.
What are the key properties of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide has a molecular weight of 395.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 7038993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).