N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide

C23H39NO2 — CID 14276075

IUPACN-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1OCC
InChIInChI=1S/C23H39NO2/c1-6-8-9-10-11-12-13-14-18-23(4,5)22(25)24-21-19(3)16-15-17-20(21)26-7-2/h15-17H,6-14,18H2,1-5H3,(H,24,25)
InChIKeyLMAFBFKEXNZZHQ-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.89
Rot. Bonds13

About N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide

N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide (PubChem CID 14276075) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide
PubChem CID14276075
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC NameN-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1OCC
InChIInChI=1S/C23H39NO2/c1-6-8-9-10-11-12-13-14-18-23(4,5)22(25)24-21-19(3)16-15-17-20(21)26-7-2/h15-17H,6-14,18H2,1-5H3,(H,24,25)
InChIKeyLMAFBFKEXNZZHQ-UHFFFAOYSA-N
XLogP6.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Methoxy-4-methylquinolin-2(1H)-one
CID 782123
2'-Methoxy-2-phenylacetanilide
CID 258229
N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
CID 24848458
N-(2,2,6-trimethyl-2,3-dihydrobenzofuran-7-yl)hexadecaneamide
CID 10835676
N-hydroxy-6-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)hexanamide
CID 25066549
8-Ethoxy-2,2-dimethyl-1,2-dihydroquinoline
CID 44383798
8-ethoxyspiro[1H-quinoline-2,1'-cyclohexane]
CID 44383905
N-(2-methoxyphenyl)-1-phenylcyclopentanecarboxamide
CID 741483
4-(4-Mercapto-8-methoxy-2-methyl-quinolin-3-yl)-butan-2-one
CID 868037
2,2-dimethyl-N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)dodecanamide
CID 10385568
N-(7-methoxy-3,4-dihydro-2H-chromen-8-yl)-2,2-dimethyldodecanamide
CID 10408026
1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide
CID 10501898

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide?
The IUPAC name of N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide (CID 14276075) is N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide.
What is the SMILES notation for N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide?
The canonical SMILES for N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1OCC.
What is the InChIKey of N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide?
The InChIKey is LMAFBFKEXNZZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-6-8-9-10-11-12-13-14-18-23(4,5)22(25)24-21-19(3)16-15-17-20(21)26-7-2/h15-17H,6-14,18H2,1-5H3,(H,24,25).
What are the key properties of N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide?
N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide has a molecular weight of 361.57 g/mol, XLogP of 6.89, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methylphenyl)-2,2-dimethyldodecanamide is sourced from PubChem (CID 14276075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).