N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide

C18H29NO4 — CID 133167167

IUPACN-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OCCOCC)cc1
InChIInChI=1S/C18H29NO4/c1-5-7-12-18(3,21-4)17(20)19-15-8-10-16(11-9-15)23-14-13-22-6-2/h8-11H,5-7,12-14H2,1-4H3,(H,19,20)
InChIKeyLATLIMNNBKEUAW-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.64
Rot. Bonds11

About N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide

N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide (PubChem CID 133167167) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
PubChem CID133167167
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OCCOCC)cc1
InChIInChI=1S/C18H29NO4/c1-5-7-12-18(3,21-4)17(20)19-15-8-10-16(11-9-15)23-14-13-22-6-2/h8-11H,5-7,12-14H2,1-4H3,(H,19,20)
InChIKeyLATLIMNNBKEUAW-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
CID 100699590
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
CID 100691237
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide?
The IUPAC name of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide (CID 133167167) is N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide.
What is the SMILES notation for N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide?
The canonical SMILES for N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide is CCCCC(C)(OC)C(=O)Nc1ccc(OCCOCC)cc1.
What is the InChIKey of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide?
The InChIKey is LATLIMNNBKEUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-7-12-18(3,21-4)17(20)19-15-8-10-16(11-9-15)23-14-13-22-6-2/h8-11H,5-7,12-14H2,1-4H3,(H,19,20).
What are the key properties of N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide?
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide has a molecular weight of 323.43 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide is sourced from PubChem (CID 133167167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).