N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide

C20H24N2O3 — CID 45254124

IUPACN'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
SMILESCc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C20H24N2O3/c1-15-11-13-16(14-12-15)21-19(24)9-3-2-4-10-20(25)22-17-7-5-6-8-18(17)23/h5-8,11-14,23H,2-4,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyDUTNUKYARVWJJC-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.23
Rot. Bonds8

About N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide

N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide (PubChem CID 45254124) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide.

Molecular Properties

Compound NameN'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
PubChem CID45254124
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
SMILESCc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C20H24N2O3/c1-15-11-13-16(14-12-15)21-19(24)9-3-2-4-10-20(25)22-17-7-5-6-8-18(17)23/h5-8,11-14,23H,2-4,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyDUTNUKYARVWJJC-UHFFFAOYSA-N
XLogP4.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-(4-methylphenyl)pentanamide
CID 3662375
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N-(2-hydroxyphenyl)-6-[methyl(phenyl)phosphoryl]hexanamide
CID 118341051
N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide?
The IUPAC name of N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide (CID 45254124) is N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide.
What is the SMILES notation for N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide?
The canonical SMILES for N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide is Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2O)cc1.
What is the InChIKey of N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide?
The InChIKey is DUTNUKYARVWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-11-13-16(14-12-15)21-19(24)9-3-2-4-10-20(25)22-17-7-5-6-8-18(17)23/h5-8,11-14,23H,2-4,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide?
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide has a molecular weight of 340.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide is sourced from PubChem (CID 45254124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).