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

C19H31NO4 — CID 100728823

IUPAC(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C19H31NO4/c1-5-7-8-13-19(3,24-6-2)18(21)20-16-9-11-17(12-10-16)23-15-14-22-4/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)/t19-/m0/s1
InChIKeyCBXDDTLMMSIZPC-IBGZPJMESA-N
MW337.46 g/mol
LogP4.03
Rot. Bonds12

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

(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide (PubChem CID 100728823) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
PubChem CID100728823
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C19H31NO4/c1-5-7-8-13-19(3,24-6-2)18(21)20-16-9-11-17(12-10-16)23-15-14-22-4/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)/t19-/m0/s1
InChIKeyCBXDDTLMMSIZPC-IBGZPJMESA-N
XLogP4.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.03
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-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
(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)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
CID 100724805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide?
The IUPAC name of (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide (CID 100728823) is (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide is CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1.
What is the InChIKey of (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide?
The InChIKey is CBXDDTLMMSIZPC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31NO4/c1-5-7-8-13-19(3,24-6-2)18(21)20-16-9-11-17(12-10-16)23-15-14-22-4/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide?
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide has a molecular weight of 337.46 g/mol, XLogP of 4.03, 12 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-methoxyethoxy)phenyl]-2-methylheptanamide is sourced from PubChem (CID 100728823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).