(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide

C20H33NO5 — CID 10248402

IUPAC(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide
SMILESCOCO[C@H](C[C@H](OCc1ccccc1)C(C)C)[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C20H33NO5/c1-15(2)18(25-13-17-10-8-7-9-11-17)12-19(26-14-23-5)16(3)20(22)21(4)24-6/h7-11,15-16,18-19H,12-14H2,1-6H3/t16-,18-,19+/m0/s1
InChIKeyBIVLUCJWVZHXRK-YTQUADARSA-N
MW367.49 g/mol
LogP3.26
Rot. Bonds12

About (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide

(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide (PubChem CID 10248402) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide.

Molecular Properties

Compound Name(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide
PubChem CID10248402
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Name(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide
SMILESCOCO[C@H](C[C@H](OCc1ccccc1)C(C)C)[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C20H33NO5/c1-15(2)18(25-13-17-10-8-7-9-11-17)12-19(26-14-23-5)16(3)20(22)21(4)24-6/h7-11,15-16,18-19H,12-14H2,1-6H3/t16-,18-,19+/m0/s1
InChIKeyBIVLUCJWVZHXRK-YTQUADARSA-N
XLogP3.26
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
benzyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10469699
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate
CID 102345387
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate
CID 71506563
(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide
CID 156782553
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
benzyl 2-[(2R,3S)-3-amino-1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]oxyacetate;hydrochloride
CID 86584507
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide?
The IUPAC name of (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide (CID 10248402) is (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide.
What is the SMILES notation for (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide?
The canonical SMILES for (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide is COCO[C@H](C[C@H](OCc1ccccc1)C(C)C)[C@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide?
The InChIKey is BIVLUCJWVZHXRK-YTQUADARSA-N. The full InChI is InChI=1S/C20H33NO5/c1-15(2)18(25-13-17-10-8-7-9-11-17)12-19(26-14-23-5)16(3)20(22)21(4)24-6/h7-11,15-16,18-19H,12-14H2,1-6H3/t16-,18-,19+/m0/s1.
What are the key properties of (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide?
(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide has a molecular weight of 367.49 g/mol, XLogP of 3.26, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide is sourced from PubChem (CID 10248402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).