N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C18H15N3O4 — CID 136909111

IUPACN-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15N3O4/c22-15-8-7-12-4-1-2-5-13(12)14(15)10-20-21-17(23)11-19-18(24)16-6-3-9-25-16/h1-10,22H,11H2,(H,19,24)(H,21,23)/b20-10-
InChIKeyUIBHIDTXVSPHPN-JMIUGGIZSA-N
MW337.34 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 136909111) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID136909111
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15N3O4/c22-15-8-7-12-4-1-2-5-13(12)14(15)10-20-21-17(23)11-19-18(24)16-6-3-9-25-16/h1-10,22H,11H2,(H,19,24)(H,21,23)/b20-10-
InChIKeyUIBHIDTXVSPHPN-JMIUGGIZSA-N
XLogP2.02
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
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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Related Compounds

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
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-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135616123
N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 135684775
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136678607
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 135717106
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 136909111) is N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is UIBHIDTXVSPHPN-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-15-8-7-12-4-1-2-5-13(12)14(15)10-20-21-17(23)11-19-18(24)16-6-3-9-25-16/h1-10,22H,11H2,(H,19,24)(H,21,23)/b20-10-.
What are the key properties of N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 136909111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).