(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide

C17H27NO5 — CID 11141931

IUPAC(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
SMILESCOc1ccc(COC[C@H](C)[C@H](O)[C@@H](C)C(=O)N(C)OC)cc1
InChIInChI=1S/C17H27NO5/c1-12(16(19)13(2)17(20)18(3)22-5)10-23-11-14-6-8-15(21-4)9-7-14/h6-9,12-13,16,19H,10-11H2,1-5H3/t12-,13+,16-/m0/s1
InChIKeyMOGISFIDXHOYKQ-ZENOOKHLSA-N
MW325.41 g/mol
LogP1.86
Rot. Bonds9

About (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide

(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide (PubChem CID 11141931) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide.

Molecular Properties

Compound Name(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
PubChem CID11141931
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
SMILESCOc1ccc(COC[C@H](C)[C@H](O)[C@@H](C)C(=O)N(C)OC)cc1
InChIInChI=1S/C17H27NO5/c1-12(16(19)13(2)17(20)18(3)22-5)10-23-11-14-6-8-15(21-4)9-7-14/h6-9,12-13,16,19H,10-11H2,1-5H3/t12-,13+,16-/m0/s1
InChIKeyMOGISFIDXHOYKQ-ZENOOKHLSA-N
XLogP1.86
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide 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

(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
CID 71726345
(5S,6S)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,6-dimethylheptan-3-one
CID 101412601
(2S,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3,6-bis[(4-methoxyphenyl)methoxy]-N,2,4-trimethylhexanamide
CID 101199274
tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
CID 11278776
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
ethyl (E,5S,6S,7R)-6-hydroxy-8-[(4-methoxyphenyl)methoxy]-5,7-dimethyloct-2-enoate
CID 15449658
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide?
The IUPAC name of (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide (CID 11141931) is (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide.
What is the SMILES notation for (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide?
The canonical SMILES for (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide is COc1ccc(COC[C@H](C)[C@H](O)[C@@H](C)C(=O)N(C)OC)cc1.
What is the InChIKey of (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide?
The InChIKey is MOGISFIDXHOYKQ-ZENOOKHLSA-N. The full InChI is InChI=1S/C17H27NO5/c1-12(16(19)13(2)17(20)18(3)22-5)10-23-11-14-6-8-15(21-4)9-7-14/h6-9,12-13,16,19H,10-11H2,1-5H3/t12-,13+,16-/m0/s1.
What are the key properties of (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide?
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide has a molecular weight of 325.41 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide is sourced from PubChem (CID 11141931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).