(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide

C18H28ClNO4 — CID 100701055

IUPAC(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
SMILESCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-6-7-10-18(3,23-5)17(21)20-14-8-9-16(15(19)11-14)24-13(2)12-22-4/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,21)/t13-,18-/m1/s1
InChIKeyCTTYDRJLIALUND-FZKQIMNGSA-N
MW357.88 g/mol
LogP4.29
Rot. Bonds10

About (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide

(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide (PubChem CID 100701055) has the molecular formula C18H28ClNO4 and a molecular weight of 357.88 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
PubChem CID100701055
Molecular FormulaC18H28ClNO4
Molecular Weight357.88 g/mol
Exact Mass357.17
IUPAC Name(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
SMILESCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1
InChIInChI=1S/C18H28ClNO4/c1-6-7-10-18(3,23-5)17(21)20-14-8-9-16(15(19)11-14)24-13(2)12-22-4/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,21)/t13-,18-/m1/s1
InChIKeyCTTYDRJLIALUND-FZKQIMNGSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701068
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-ethoxy-2-methylbutanamide
CID 100722732
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739322
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699402
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133246493
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
(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
(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-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide?
The IUPAC name of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide (CID 100701055) is (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide is CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide?
The InChIKey is CTTYDRJLIALUND-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H28ClNO4/c1-6-7-10-18(3,23-5)17(21)20-14-8-9-16(15(19)11-14)24-13(2)12-22-4/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,20,21)/t13-,18-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide?
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide has a molecular weight of 357.88 g/mol, XLogP of 4.29, 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-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide is sourced from PubChem (CID 100701055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).