N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide

C21H25N3O3 — CID 135681181

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N/N=C(\CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-5-6-20(26)22-17-11-7-16(8-12-17)21(27)24-23-19(4-2)15-9-13-18(25)14-10-15/h7-14,25H,3-6H2,1-2H3,(H,22,26)(H,24,27)/b23-19+
InChIKeyTVYHWMAPSMMVTQ-FCDQGJHFSA-N
MW367.45 g/mol
LogP4.07
Rot. Bonds8

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide (PubChem CID 135681181) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
PubChem CID135681181
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N/N=C(\CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H25N3O3/c1-3-5-6-20(26)22-17-11-7-16(8-12-17)21(27)24-23-19(4-2)15-9-13-18(25)14-10-15/h7-14,25H,3-6H2,1-2H3,(H,22,26)(H,24,27)/b23-19+
InChIKeyTVYHWMAPSMMVTQ-FCDQGJHFSA-N
XLogP4.07
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135560459
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide (CID 135681181) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)N/N=C(\CC)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide?
The InChIKey is TVYHWMAPSMMVTQ-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-5-6-20(26)22-17-11-7-16(8-12-17)21(27)24-23-19(4-2)15-9-13-18(25)14-10-15/h7-14,25H,3-6H2,1-2H3,(H,22,26)(H,24,27)/b23-19+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 135681181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).