11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide

C22H35NO3 — CID 7076150

IUPAC11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide
SMILESCc1ccc(NC(=O)CCCCCCCCCC[C@@H]2COCCO2)cc1
InChIInChI=1S/C22H35NO3/c1-19-12-14-20(15-13-19)23-22(24)11-9-7-5-3-2-4-6-8-10-21-18-25-16-17-26-21/h12-15,21H,2-11,16-18H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyNXDJFCQNKNCNCK-OAQYLSRUSA-N
MW361.53 g/mol
LogP5.25
Rot. Bonds12

About 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide

11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide (PubChem CID 7076150) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide.

Molecular Properties

Compound Name11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide
PubChem CID7076150
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide
SMILESCc1ccc(NC(=O)CCCCCCCCCC[C@@H]2COCCO2)cc1
InChIInChI=1S/C22H35NO3/c1-19-12-14-20(15-13-19)23-22(24)11-9-7-5-3-2-4-6-8-10-21-18-25-16-17-26-21/h12-15,21H,2-11,16-18H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyNXDJFCQNKNCNCK-OAQYLSRUSA-N
XLogP5.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.25
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'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-methylphenyl)pentanamide
CID 3662375
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
CID 80713616
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
7-methyl-N-(4-methylphenyl)-8-oxononanamide
CID 86156730
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
5-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-N-(4-methylphenyl)pentanamide
CID 54084023
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347

Frequently Asked Questions

What is the IUPAC name of 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide?
The IUPAC name of 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide (CID 7076150) is 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide.
What is the SMILES notation for 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide?
The canonical SMILES for 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide is Cc1ccc(NC(=O)CCCCCCCCCC[C@@H]2COCCO2)cc1.
What is the InChIKey of 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide?
The InChIKey is NXDJFCQNKNCNCK-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H35NO3/c1-19-12-14-20(15-13-19)23-22(24)11-9-7-5-3-2-4-6-8-10-21-18-25-16-17-26-21/h12-15,21H,2-11,16-18H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide?
11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide has a molecular weight of 361.53 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2R)-1,4-dioxan-2-yl]-N-(4-methylphenyl)undecanamide is sourced from PubChem (CID 7076150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).