(2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide

C16H16N4O2 — CID 137099021

IUPAC(2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide
SMILESC=N/N=C(/CC)C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C16H16N4O2/c1-3-14(19-17-2)16(22)20-18-10-13-12-7-5-4-6-11(12)8-9-15(13)21/h4-10,21H,2-3H2,1H3,(H,20,22)/b18-10-,19-14-
InChIKeyANFDEWCNERJVFI-MQJNLDOXSA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds5

About (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide

(2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide (PubChem CID 137099021) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide.

Molecular Properties

Compound Name(2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide
PubChem CID137099021
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide
SMILESC=N/N=C(/CC)C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C16H16N4O2/c1-3-14(19-17-2)16(22)20-18-10-13-12-7-5-4-6-11(12)8-9-15(13)21/h4-10,21H,2-3H2,1H3,(H,20,22)/b18-10-,19-14-
InChIKeyANFDEWCNERJVFI-MQJNLDOXSA-N
XLogP2.46
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide?
The IUPAC name of (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide (CID 137099021) is (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide.
What is the SMILES notation for (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide?
The canonical SMILES for (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide is C=N/N=C(/CC)C(=O)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide?
The InChIKey is ANFDEWCNERJVFI-MQJNLDOXSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-14(19-17-2)16(22)20-18-10-13-12-7-5-4-6-11(12)8-9-15(13)21/h4-10,21H,2-3H2,1H3,(H,20,22)/b18-10-,19-14-.
What are the key properties of (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide?
(2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide has a molecular weight of 296.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylidenehydrazinylidene)butanamide is sourced from PubChem (CID 137099021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).