N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide

C23H37NO3 — CID 3775740

IUPACN-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide
SMILESCc1ccc(NC(=O)CCCCCCCCCCC2COCCO2)c(C)c1
InChIInChI=1S/C23H37NO3/c1-19-13-14-22(20(2)17-19)24-23(25)12-10-8-6-4-3-5-7-9-11-21-18-26-15-16-27-21/h13-14,17,21H,3-12,15-16,18H2,1-2H3,(H,24,25)
InChIKeyKUOXYSGPAGICEF-UHFFFAOYSA-N
MW375.55 g/mol
LogP5.56
Rot. Bonds12

About N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide

N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide (PubChem CID 3775740) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide
PubChem CID3775740
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC NameN-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide
SMILESCc1ccc(NC(=O)CCCCCCCCCCC2COCCO2)c(C)c1
InChIInChI=1S/C23H37NO3/c1-19-13-14-22(20(2)17-19)24-23(25)12-10-8-6-4-3-5-7-9-11-21-18-26-15-16-27-21/h13-14,17,21H,3-12,15-16,18H2,1-2H3,(H,24,25)
InChIKeyKUOXYSGPAGICEF-UHFFFAOYSA-N
XLogP5.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 710481
6-Hexyl-2-oxo-tetrahydro-pyran-3-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10045765
N-[2,6-bis(1-methylethyl)phenyl]-6-heptyltetrahydro-2-oxo-2H-pyran-3-carboxamide
CID 10363695
N-(4-methylphenyl)-4-phenyloxane-4-carboxamide
CID 744209
Octadec-9-enoic acid (2,4,6-trimethyl-phenyl)-amide
CID 44288584
2,2-Dimethyl-dodecanoic acid (2,4-dimethyl-phenyl)-amide
CID 44289048
N-(2,5-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide
CID 2837672
Ethyl 4-(2-oxoindolin-5-yl)butyrate
CID 22931351
2',4'-Octanoxylidide
CID 295093
N-[4-(2-amino-2-oxoethyl)phenyl]oxane-4-carboxamide
CID 39279965
(9Z,12Z)-N-(2,4,6-trimethylphenyl)octadeca-9,12-dienamide
CID 44304615
N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide
CID 46988495

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide (CID 3775740) is N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide is Cc1ccc(NC(=O)CCCCCCCCCCC2COCCO2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide?
The InChIKey is KUOXYSGPAGICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3/c1-19-13-14-22(20(2)17-19)24-23(25)12-10-8-6-4-3-5-7-9-11-21-18-26-15-16-27-21/h13-14,17,21H,3-12,15-16,18H2,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide?
N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide has a molecular weight of 375.55 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-11-(1,4-dioxan-2-yl)undecanamide is sourced from PubChem (CID 3775740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).