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

C19H30ClNO4 — CID 100729354

IUPAC(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C19H30ClNO4/c1-5-7-8-11-19(3,25-6-2)18(22)21-15-9-10-17(16(20)14-15)24-13-12-23-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyFLLJGLLWHSXVAA-LJQANCHMSA-N
MW371.91 g/mol
LogP4.68
Rot. Bonds12

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

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide (PubChem CID 100729354) has the molecular formula C19H30ClNO4 and a molecular weight of 371.91 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
PubChem CID100729354
Molecular FormulaC19H30ClNO4
Molecular Weight371.91 g/mol
Exact Mass371.19
IUPAC Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C19H30ClNO4/c1-5-7-8-11-19(3,25-6-2)18(22)21-15-9-10-17(16(20)14-15)24-13-12-23-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyFLLJGLLWHSXVAA-LJQANCHMSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.68
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

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
(2S)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727907
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
(2R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methyl-2-propoxyhexanamide
CID 100742589
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide?
The IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide (CID 100729354) is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide is CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide?
The InChIKey is FLLJGLLWHSXVAA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30ClNO4/c1-5-7-8-11-19(3,25-6-2)18(22)21-15-9-10-17(16(20)14-15)24-13-12-23-4/h9-10,14H,5-8,11-13H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide?
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide has a molecular weight of 371.91 g/mol, XLogP of 4.68, 12 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-methylheptanamide is sourced from PubChem (CID 100729354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).