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

C20H17N3O2 — CID 5375697

IUPACN'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C20H17N3O2/c24-19(22-15-9-10-15)20(25)23-21-12-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)18/h1-8,11-12,15H,9-10H2,(H,22,24)(H,23,25)/b21-12-
InChIKeyWGAROQIAQGRASW-MTJSOVHGSA-N
MW331.38 g/mol
LogP2.72
Rot. Bonds3

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

N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide (PubChem CID 5375697) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
PubChem CID5375697
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C20H17N3O2/c24-19(22-15-9-10-15)20(25)23-21-12-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)18/h1-8,11-12,15H,9-10H2,(H,22,24)(H,23,25)/b21-12-
InChIKeyWGAROQIAQGRASW-MTJSOVHGSA-N
XLogP2.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.72
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-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958
N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
CID 8865346
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 7038993
N-[(Z)-anthracen-9-ylmethylideneamino]-3-methylidenecyclobutane-1-carboxamide
CID 5405849
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
(1S,2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40553633
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
CID 9352215
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide (CID 5375697) is N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide is O=C(N/N=C\c1c2ccccc2cc2ccccc12)C(=O)NC1CC1.
What is the InChIKey of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide?
The InChIKey is WGAROQIAQGRASW-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(22-15-9-10-15)20(25)23-21-12-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)18/h1-8,11-12,15H,9-10H2,(H,22,24)(H,23,25)/b21-12-.
What are the key properties of N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide has a molecular weight of 331.38 g/mol, XLogP of 2.72, 3 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-cyclopropyloxamide is sourced from PubChem (CID 5375697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).