N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide

C21H24N2O2 — CID 3110234

IUPACN-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
SMILESCCCCCC(C=NNC(=O)c1ccccc1O)=Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-3-5-12-18(15-17-10-6-4-7-11-17)16-22-23-21(25)19-13-8-9-14-20(19)24/h4,6-11,13-16,24H,2-3,5,12H2,1H3,(H,23,25)
InChIKeyGPYUPIVWRCQHSA-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.77
Rot. Bonds8

About N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide

N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide (PubChem CID 3110234) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
PubChem CID3110234
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
SMILESCCCCCC(C=NNC(=O)c1ccccc1O)=Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-3-5-12-18(15-17-10-6-4-7-11-17)16-22-23-21(25)19-13-8-9-14-20(19)24/h4,6-11,13-16,24H,2-3,5,12H2,1H3,(H,23,25)
InChIKeyGPYUPIVWRCQHSA-UHFFFAOYSA-N
XLogP4.77
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
CID 7955494
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol
CID 136678687
2-hydroxy-N-(pentylideneamino)benzamide
CID 3686688
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
CID 75460595
[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
CID 6288454

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide?
The IUPAC name of N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide (CID 3110234) is N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide.
What is the SMILES notation for N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide?
The canonical SMILES for N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide is CCCCCC(C=NNC(=O)c1ccccc1O)=Cc1ccccc1.
What is the InChIKey of N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide?
The InChIKey is GPYUPIVWRCQHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-3-5-12-18(15-17-10-6-4-7-11-17)16-22-23-21(25)19-13-8-9-14-20(19)24/h4,6-11,13-16,24H,2-3,5,12H2,1H3,(H,23,25).
What are the key properties of N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide?
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide has a molecular weight of 336.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide is sourced from PubChem (CID 3110234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).