N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide

C21H20N2O3 — CID 4245743

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(O)cc1)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C21H20N2O3/c24-17-11-8-15(9-12-17)4-3-7-21(26)23-22-14-19-18-6-2-1-5-16(18)10-13-20(19)25/h1-2,5-6,8-14,24-25H,3-4,7H2,(H,23,26)
InChIKeyYMYWGTYMNBVTJL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.72
Rot. Bonds6

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide (PubChem CID 4245743) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
PubChem CID4245743
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(O)cc1)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C21H20N2O3/c24-17-11-8-15(9-12-17)4-3-7-21(26)23-22-14-19-18-6-2-1-5-16(18)10-13-20(19)25/h1-2,5-6,8-14,24-25H,3-4,7H2,(H,23,26)
InChIKeyYMYWGTYMNBVTJL-UHFFFAOYSA-N
XLogP3.72
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
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]hexanediamide
CID 135616078
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
CID 136769030
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-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide (CID 4245743) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide is O=C(CCCc1ccc(O)cc1)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide?
The InChIKey is YMYWGTYMNBVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-17-11-8-15(9-12-17)4-3-7-21(26)23-22-14-19-18-6-2-1-5-16(18)10-13-20(19)25/h1-2,5-6,8-14,24-25H,3-4,7H2,(H,23,26).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide has a molecular weight of 348.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide is sourced from PubChem (CID 4245743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).