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

C18H28ClNO4 — CID 100702581

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

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

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide (PubChem CID 100702581) 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-methoxy-2-methylheptanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
PubChem CID100702581
Molecular FormulaC18H28ClNO4
Molecular Weight357.88 g/mol
Exact Mass357.17
IUPAC Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-5-6-7-10-18(2,23-4)17(21)20-14-8-9-16(15(19)13-14)24-12-11-22-3/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/t18-/m1/s1
InChIKeyXWSPHCSWGOGDMI-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-methyl-2-propoxyheptanamide
CID 100712148
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701068
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701055
(2S)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727907
(2R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methyl-2-propoxyhexanamide
CID 100742589
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245895
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide?
The IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide (CID 100702581) is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide is CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide?
The InChIKey is XWSPHCSWGOGDMI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28ClNO4/c1-5-6-7-10-18(2,23-4)17(21)20-14-8-9-16(15(19)13-14)24-12-11-22-3/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-methoxy-2-methylheptanamide?
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide 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-methoxy-2-methylheptanamide is sourced from PubChem (CID 100702581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).