5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide

C34H44N2O4 — CID 101305952

IUPAC5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
SMILESCCCCCCCc1ccc(O)c(C(=O)Nc2ccccc2NC(=O)c2cc(CCCCCCC)ccc2O)c1
InChIInChI=1S/C34H44N2O4/c1-3-5-7-9-11-15-25-19-21-31(37)27(23-25)33(39)35-29-17-13-14-18-30(29)36-34(40)28-24-26(20-22-32(28)38)16-12-10-8-6-4-2/h13-14,17-24,37-38H,3-12,15-16H2,1-2H3,(H,35,39)(H,36,40)
InChIKeySTWGMWXRCPKQEW-UHFFFAOYSA-N
MW544.74 g/mol
LogP8.63
Rot. Bonds16

About 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide

5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide (PubChem CID 101305952) has the molecular formula C34H44N2O4 and a molecular weight of 544.74 g/mol. Its IUPAC name is 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
PubChem CID101305952
Molecular FormulaC34H44N2O4
Molecular Weight544.74 g/mol
Exact Mass544.33
IUPAC Name5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
SMILESCCCCCCCc1ccc(O)c(C(=O)Nc2ccccc2NC(=O)c2cc(CCCCCCC)ccc2O)c1
InChIInChI=1S/C34H44N2O4/c1-3-5-7-9-11-15-25-19-21-31(37)27(23-25)33(39)35-29-17-13-14-18-30(29)36-34(40)28-24-26(20-22-32(28)38)16-12-10-8-6-4-2/h13-14,17-24,37-38H,3-12,15-16H2,1-2H3,(H,35,39)(H,36,40)
InChIKeySTWGMWXRCPKQEW-UHFFFAOYSA-N
XLogP8.63
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 58.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
1-N',3-N'-bis(2-hydroxy-5-pentylbenzoyl)-2-nonylpropanedihydrazide
CID 101307001
2-[(2-anilino-4-pentylbenzoyl)amino]benzoic acid
CID 139801198
N-(2-ethenyl-4-hexylphenyl)-2-iodobenzamide
CID 71500524
2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
CID 101307449

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide (CID 101305952) is 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide is CCCCCCCc1ccc(O)c(C(=O)Nc2ccccc2NC(=O)c2cc(CCCCCCC)ccc2O)c1.
What is the InChIKey of 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide?
The InChIKey is STWGMWXRCPKQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O4/c1-3-5-7-9-11-15-25-19-21-31(37)27(23-25)33(39)35-29-17-13-14-18-30(29)36-34(40)28-24-26(20-22-32(28)38)16-12-10-8-6-4-2/h13-14,17-24,37-38H,3-12,15-16H2,1-2H3,(H,35,39)(H,36,40).
What are the key properties of 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide?
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide has a molecular weight of 544.74 g/mol, XLogP of 8.63, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 101305952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).