N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

C18H19N3O4 — CID 135650458

IUPACN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H19N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,22-23H,6,9,12H2,(H,19,24)(H,21,25)/b20-11+
InChIKeyDZHQBJYWFJKPNM-RGVLZGJSSA-N
MW341.37 g/mol
LogP1.30
Rot. Bonds7

About N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide

N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 135650458) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
PubChem CID135650458
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C18H19N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,22-23H,6,9,12H2,(H,19,24)(H,21,25)/b20-11+
InChIKeyDZHQBJYWFJKPNM-RGVLZGJSSA-N
XLogP1.30
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[1-(2,4-Dimethoxy-phenyl)-eth-(E)-ylidene-hydrazinocarbonylmethyl]-2-phenyl-acetamide
CID 9656720
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
tert-butyl N-[3-(4-fluorophenyl)-1-oxo-1-[(2E)-2-[(2,3,4-trihydroxyphenyl)methylidene]hydrazinyl]propan-2-yl]carbamate
CID 137283262
tert-butyl N-[3-(4-hydroxyphenyl)-1-oxo-1-[(2E)-2-[(2,3,4-trihydroxyphenyl)methylidene]hydrazinyl]propan-2-yl]carbamate
CID 137283293
3-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137290226
4-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137290274
4-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137303077
5-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137304401
3-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137316490
Benzylidenehydrazine derivative, 11
CID 135922677
N-{6-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-oxohexyl}benzamide
CID 135517038
(Z)-N-[2-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135549592

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide (CID 135650458) is N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is DZHQBJYWFJKPNM-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-15-8-7-14(16(23)10-15)11-20-21-18(25)12-19-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,22-23H,6,9,12H2,(H,19,24)(H,21,25)/b20-11+.
What are the key properties of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide?
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 341.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 135650458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).