N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide

C16H17N3O3 — CID 136764623

IUPACN'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C16H17N3O3/c1-10(2)18-15(21)16(22)19-17-9-13-12-6-4-3-5-11(12)7-8-14(13)20/h3-10,20H,1-2H3,(H,18,21)(H,19,22)/b17-9-
InChIKeyLFAPQQMHVYNIAZ-MFOYZWKCSA-N
MW299.33 g/mol
LogP1.52
Rot. Bonds3

About N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 136764623) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
PubChem CID136764623
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C16H17N3O3/c1-10(2)18-15(21)16(22)19-17-9-13-12-6-4-3-5-11(12)7-8-14(13)20/h3-10,20H,1-2H3,(H,18,21)(H,19,22)/b17-9-
InChIKeyLFAPQQMHVYNIAZ-MFOYZWKCSA-N
XLogP1.52
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.52
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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
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-(4-methylphenyl)oxamide
CID 136739213
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135607051
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
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-(2-chlorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136815761

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide (CID 136764623) is N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is LFAPQQMHVYNIAZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(2)18-15(21)16(22)19-17-9-13-12-6-4-3-5-11(12)7-8-14(13)20/h3-10,20H,1-2H3,(H,18,21)(H,19,22)/b17-9-.
What are the key properties of N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 299.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 136764623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).