(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide

C20H33NO4 — CID 100728845

IUPAC(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1
InChIInChI=1S/C20H33NO4/c1-5-8-9-14-20(4,25-7-3)19(22)21-17-10-12-18(13-11-17)24-16-15-23-6-2/h10-13H,5-9,14-16H2,1-4H3,(H,21,22)/t20-/m0/s1
InChIKeyBWUZYIFEJOLRQS-FQEVSTJZSA-N
MW351.49 g/mol
LogP4.42
Rot. Bonds13

About (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide

(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide (PubChem CID 100728845) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
PubChem CID100728845
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1
InChIInChI=1S/C20H33NO4/c1-5-8-9-14-20(4,25-7-3)19(22)21-17-10-12-18(13-11-17)24-16-15-23-6-2/h10-13H,5-9,14-16H2,1-4H3,(H,21,22)/t20-/m0/s1
InChIKeyBWUZYIFEJOLRQS-FQEVSTJZSA-N
XLogP4.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.42
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

(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
(2S)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728392
(2R)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728383
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-2-methyl-2-propoxyheptanamide
CID 133205941
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
CID 100724805
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
CID 100691237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide?
The IUPAC name of (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide (CID 100728845) is (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide is CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1.
What is the InChIKey of (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide?
The InChIKey is BWUZYIFEJOLRQS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33NO4/c1-5-8-9-14-20(4,25-7-3)19(22)21-17-10-12-18(13-11-17)24-16-15-23-6-2/h10-13H,5-9,14-16H2,1-4H3,(H,21,22)/t20-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide?
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide has a molecular weight of 351.49 g/mol, XLogP of 4.42, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide is sourced from PubChem (CID 100728845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).