3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

C22H27N3O4 — CID 135414090

IUPAC3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCC(=O)Nc1cccc(C(=O)NN=Cc2cc(OC)ccc2O)c1
InChIInChI=1S/C22H27N3O4/c1-3-4-5-6-10-21(27)24-18-9-7-8-16(13-18)22(28)25-23-15-17-14-19(29-2)11-12-20(17)26/h7-9,11-15,26H,3-6,10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLCVDXBAJCAKJEJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.07
Rot. Bonds10

About 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide

3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135414090) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
PubChem CID135414090
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCC(=O)Nc1cccc(C(=O)NN=Cc2cc(OC)ccc2O)c1
InChIInChI=1S/C22H27N3O4/c1-3-4-5-6-10-21(27)24-18-9-7-8-16(13-18)22(28)25-23-15-17-14-19(29-2)11-12-20(17)26/h7-9,11-15,26H,3-6,10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLCVDXBAJCAKJEJ-UHFFFAOYSA-N
XLogP4.07
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-[(3-nitrobenzoyl)amino]benzamide
CID 135957408
[4-[[[3-(heptanoylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6733357
3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 45109011
N-[(E)-[3,5-bis(phenylmethoxy)phenyl]methylideneamino]-3-(heptanoylamino)benzamide
CID 45109580
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 135684236
methyl 3-(decanoylamino)benzoate
CID 142485980
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
CID 135569761
N-(3-methoxyphenyl)-4-(pentanoylamino)benzamide
CID 3622603
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(heptanoylamino)benzamide
CID 45109635

Frequently Asked Questions

What is the IUPAC name of 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide (CID 135414090) is 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is CCCCCCC(=O)Nc1cccc(C(=O)NN=Cc2cc(OC)ccc2O)c1.
What is the InChIKey of 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is LCVDXBAJCAKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-4-5-6-10-21(27)24-18-9-7-8-16(13-18)22(28)25-23-15-17-14-19(29-2)11-12-20(17)26/h7-9,11-15,26H,3-6,10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide?
3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135414090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).