N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide

C18H15N3O2 — CID 7718958

IUPACN'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15N3O2/c1-19-17(22)18(23)21-20-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,1H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyBYRDHFBRGWBSBM-JAIQZWGSSA-N
MW305.34 g/mol
LogP2.19
Rot. Bonds2

About N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide

N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide (PubChem CID 7718958) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
PubChem CID7718958
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15N3O2/c1-19-17(22)18(23)21-20-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,1H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyBYRDHFBRGWBSBM-JAIQZWGSSA-N
XLogP2.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.19
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-cyclopropyloxamide
CID 5375697
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 7038993
N'-(anthracen-9-ylmethylideneamino)-N-(9-ethylcarbazol-3-yl)oxamide
CID 3382572
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
(2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide
CID 5435830
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
CID 71960210
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
N-(anthracen-9-ylmethylideneamino)-N'-(2-bromophenyl)-2-methylpropanediamide
CID 5224979

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide (CID 7718958) is N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide?
The InChIKey is BYRDHFBRGWBSBM-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-19-17(22)18(23)21-20-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-11H,1H3,(H,19,22)(H,21,23)/b20-11-.
What are the key properties of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide?
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide has a molecular weight of 305.34 g/mol, XLogP of 2.19, 2 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-methyloxamide is sourced from PubChem (CID 7718958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).