N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C24H17N3O3 — CID 137157575

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H17N3O3/c28-21-12-11-15-5-1-2-8-17(15)19(21)13-25-26-22(29)14-27-20-10-4-7-16-6-3-9-18(23(16)20)24(27)30/h1-13,28H,14H2,(H,26,29)/b25-13-
InChIKeyGCZNKUWPBCWEFR-MXAYSNPKSA-N
MW395.42 g/mol
LogP3.81
Rot. Bonds4

About N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 137157575) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID137157575
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H17N3O3/c28-21-12-11-15-5-1-2-8-17(15)19(21)13-25-26-22(29)14-27-20-10-4-7-16-6-3-9-18(23(16)20)24(27)30/h1-13,28H,14H2,(H,26,29)/b25-13-
InChIKeyGCZNKUWPBCWEFR-MXAYSNPKSA-N
XLogP3.81
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 6906307
2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124553196
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 137157575) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is GCZNKUWPBCWEFR-MXAYSNPKSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-21-12-11-15-5-1-2-8-17(15)19(21)13-25-26-22(29)14-27-20-10-4-7-16-6-3-9-18(23(16)20)24(27)30/h1-13,28H,14H2,(H,26,29)/b25-13-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 137157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).