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

C18H28ClNO4 — CID 100727920

IUPAC(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-5-7-10-18(3,24-6-2)17(21)20-14-8-9-16(15(19)13-14)23-12-11-22-4/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyBUPKFTQBOLQZNR-GOSISDBHSA-N
MW357.88 g/mol
LogP4.29
Rot. Bonds11

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

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide (PubChem CID 100727920) 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-methylhexanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
PubChem CID100727920
Molecular FormulaC18H28ClNO4
Molecular Weight357.88 g/mol
Exact Mass357.17
IUPAC Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-5-7-10-18(3,24-6-2)17(21)20-14-8-9-16(15(19)13-14)23-12-11-22-4/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyBUPKFTQBOLQZNR-GOSISDBHSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.29
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-methylheptanamide
CID 100729354
(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-methyl-2-propoxyheptanamide
CID 100712148
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methyl-2-propoxyhexanamide
CID 100742589
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701055

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide?
The IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide (CID 100727920) is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide is CCCC[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-methylhexanamide?
The InChIKey is BUPKFTQBOLQZNR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28ClNO4/c1-5-7-10-18(3,24-6-2)17(21)20-14-8-9-16(15(19)13-14)23-12-11-22-4/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide?
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide has a molecular weight of 357.88 g/mol, XLogP of 4.29, 11 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-methylhexanamide is sourced from PubChem (CID 100727920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).