N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide

C20H24N2O4 — CID 20778624

IUPACN,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
SMILESCc1ccc(O)c(NC(=O)CCC(C)C(=O)Nc2cc(C)ccc2O)c1
InChIInChI=1S/C20H24N2O4/c1-12-4-7-17(23)15(10-12)21-19(25)9-6-14(3)20(26)22-16-11-13(2)5-8-18(16)24/h4-5,7-8,10-11,14,23-24H,6,9H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyPYJHJRUVJURYCQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.71
Rot. Bonds6

About N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide

N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide (PubChem CID 20778624) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
PubChem CID20778624
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
SMILESCc1ccc(O)c(NC(=O)CCC(C)C(=O)Nc2cc(C)ccc2O)c1
InChIInChI=1S/C20H24N2O4/c1-12-4-7-17(23)15(10-12)21-19(25)9-6-14(3)20(26)22-16-11-13(2)5-8-18(16)24/h4-5,7-8,10-11,14,23-24H,6,9H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyPYJHJRUVJURYCQ-UHFFFAOYSA-N
XLogP3.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
CID 87750237
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
5-(2-hydroxy-5-methylanilino)-5-oxopentanoate
CID 7162461
methyl 3-(2-hydroxy-5-methylanilino)-3-oxopropanoate
CID 53375446
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)-4-oxobutanamide
CID 108807985
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide?
The IUPAC name of N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide (CID 20778624) is N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide?
The canonical SMILES for N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide is Cc1ccc(O)c(NC(=O)CCC(C)C(=O)Nc2cc(C)ccc2O)c1.
What is the InChIKey of N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide?
The InChIKey is PYJHJRUVJURYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-4-7-17(23)15(10-12)21-19(25)9-6-14(3)20(26)22-16-11-13(2)5-8-18(16)24/h4-5,7-8,10-11,14,23-24H,6,9H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide?
N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide has a molecular weight of 356.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide is sourced from PubChem (CID 20778624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).