2-(4-methoxyphenyl)octanediamide

C15H22N2O3 — CID 170724360

IUPAC2-(4-methoxyphenyl)octanediamide
SMILESCOc1ccc(C(CCCCCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-20-12-9-7-11(8-10-12)13(15(17)19)5-3-2-4-6-14(16)18/h7-10,13H,2-6H2,1H3,(H2,16,18)(H2,17,19)
InChIKeyCLHMQJCMKUAULV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds9

About 2-(4-methoxyphenyl)octanediamide

2-(4-methoxyphenyl)octanediamide (PubChem CID 170724360) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)octanediamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)octanediamide
PubChem CID170724360
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-methoxyphenyl)octanediamide
SMILESCOc1ccc(C(CCCCCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-20-12-9-7-11(8-10-12)13(15(17)19)5-3-2-4-6-14(16)18/h7-10,13H,2-6H2,1H3,(H2,16,18)(H2,17,19)
InChIKeyCLHMQJCMKUAULV-UHFFFAOYSA-N
XLogP1.70
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)hexanediamide
CID 174359492
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(4-butoxyphenyl)pentanediamide
CID 20546483
5-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-methoxyphenyl)pentanamide
CID 67845348
5-(4-methoxyphenyl)pentanamide
CID 134389506
2-[(4-methoxyphenyl)methyl]hexanediamide
CID 146373725
2-(4-methoxyphenyl)hexanoate
CID 19815864
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
6-(4-methoxyphenyl)hexadecan-8-one
CID 132549472

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)octanediamide?
The IUPAC name of 2-(4-methoxyphenyl)octanediamide (CID 170724360) is 2-(4-methoxyphenyl)octanediamide.
What is the SMILES notation for 2-(4-methoxyphenyl)octanediamide?
The canonical SMILES for 2-(4-methoxyphenyl)octanediamide is COc1ccc(C(CCCCCC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)octanediamide?
The InChIKey is CLHMQJCMKUAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-12-9-7-11(8-10-12)13(15(17)19)5-3-2-4-6-14(16)18/h7-10,13H,2-6H2,1H3,(H2,16,18)(H2,17,19).
What are the key properties of 2-(4-methoxyphenyl)octanediamide?
2-(4-methoxyphenyl)octanediamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)octanediamide is sourced from PubChem (CID 170724360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).