(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide

C18H28ClNO4 — CID 100724136

IUPAC(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-6-24-18(4,12-13(2)3)17(21)20-14-7-8-16(15(19)11-14)23-10-9-22-5/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,20,21)/t18-/m1/s1
InChIKeyOLTCOKBYDQFFSW-GOSISDBHSA-N
MW357.88 g/mol
LogP4.14
Rot. Bonds10

About (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 100724136) has the molecular formula C18H28ClNO4 and a molecular weight of 357.88 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
PubChem CID100724136
Molecular FormulaC18H28ClNO4
Molecular Weight357.88 g/mol
Exact Mass357.17
IUPAC Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-6-24-18(4,12-13(2)3)17(21)20-14-7-8-16(15(19)11-14)23-10-9-22-5/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,20,21)/t18-/m1/s1
InChIKeyOLTCOKBYDQFFSW-GOSISDBHSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.14
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)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739322
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-ethoxy-2-methylbutanamide
CID 100722732
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide (CID 100724136) is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide is CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is OLTCOKBYDQFFSW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28ClNO4/c1-6-24-18(4,12-13(2)3)17(21)20-14-7-8-16(15(19)11-14)23-10-9-22-5/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide?
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 357.88 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100724136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).