N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C16H15N3O3 — CID 3537553

IUPACN-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C16H15N3O3/c20-14-8-5-10-3-1-2-4-12(10)13(14)9-17-19-16(22)15(21)18-11-6-7-11/h1-5,8-9,11,20H,6-7H2,(H,18,21)(H,19,22)
InChIKeyYXQMXNUDUCBZMP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.27
Rot. Bonds3

About N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 3537553) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID3537553
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C16H15N3O3/c20-14-8-5-10-3-1-2-4-12(10)13(14)9-17-19-16(22)15(21)18-11-6-7-11/h1-5,8-9,11,20H,6-7H2,(H,18,21)(H,19,22)
InChIKeyYXQMXNUDUCBZMP-UHFFFAOYSA-N
XLogP1.27
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
CID 5375697
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2218036
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136815761

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 3537553) is N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is O=C(NN=Cc1c(O)ccc2ccccc12)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is YXQMXNUDUCBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14-8-5-10-3-1-2-4-12(10)13(14)9-17-19-16(22)15(21)18-11-6-7-11/h1-5,8-9,11,20H,6-7H2,(H,18,21)(H,19,22).
What are the key properties of N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 297.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 3537553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).