(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide

C20H16N2O2 — CID 135726416

IUPAC(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C20H16N2O2/c23-19-12-11-16-8-4-5-9-17(16)18(19)14-21-22-20(24)13-10-15-6-2-1-3-7-15/h1-14,23H,(H,22,24)/b13-10+,21-14?
InChIKeyNFRIDWVSYZGUNT-HDKRJHNDSA-N
MW316.36 g/mol
LogP3.71
Rot. Bonds4

About (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide

(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide (PubChem CID 135726416) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide
PubChem CID135726416
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C20H16N2O2/c23-19-12-11-16-8-4-5-9-17(16)18(19)14-21-22-20(24)13-10-15-6-2-1-3-7-15/h1-14,23H,(H,22,24)/b13-10+,21-14?
InChIKeyNFRIDWVSYZGUNT-HDKRJHNDSA-N
XLogP3.71
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
tert-butyl N-[(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 2692498

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide (CID 135726416) is (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is NFRIDWVSYZGUNT-HDKRJHNDSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-12-11-16-8-4-5-9-17(16)18(19)14-21-22-20(24)13-10-15-6-2-1-3-7-15/h1-14,23H,(H,22,24)/b13-10+,21-14?.
What are the key properties of (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide?
(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 316.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 135726416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).