(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide

C36H43NO5 — CID 167099099

IUPAC(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide
SMILESC=C1C[C@H](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1CCC(=O)C[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C36H43NO5/c1-27-26-33(42-34(27)23-22-32(38)25-28(2)35(39)37(3)40-4)21-14-24-41-36(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,28,33-34H,1,14,21-26H2,2-4H3/t28-,33+,34?/m1/s1
InChIKeyFQGGYLPIAXNHKU-AUNSLMQVSA-N
MW569.74 g/mol
LogP6.88
Rot. Bonds15

About (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide

(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide (PubChem CID 167099099) has the molecular formula C36H43NO5 and a molecular weight of 569.74 g/mol. Its IUPAC name is (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide.

Molecular Properties

Compound Name(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide
PubChem CID167099099
Molecular FormulaC36H43NO5
Molecular Weight569.74 g/mol
Exact Mass569.31
IUPAC Name(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide
SMILESC=C1C[C@H](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1CCC(=O)C[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C36H43NO5/c1-27-26-33(42-34(27)23-22-32(38)25-28(2)35(39)37(3)40-4)21-14-24-41-36(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,28,33-34H,1,14,21-26H2,2-4H3/t28-,33+,34?/m1/s1
InChIKeyFQGGYLPIAXNHKU-AUNSLMQVSA-N
XLogP6.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.74
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
CID 58077855
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
CID 88913790
(3R)-3-methyl-5-[2-[(2S,5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]ethyl]oxolan-2-one
CID 167099195
3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol
CID 42631565
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide
CID 58991011
(3R)-7-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-3,5-dimethylheptan-2-one;(2R)-6-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
CID 159288385
3-[(2S)-4-methylidene-5-[(5R)-3,5,6-trimethylhept-6-enyl]oxolan-2-yl]propyl benzoate
CID 90211081
[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol
CID 102590856
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
CID 161216773
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
methyl 5-trityloxypentanoate
CID 171841896
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
The IUPAC name of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide (CID 167099099) is (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide.
What is the SMILES notation for (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
The canonical SMILES for (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide is C=C1C[C@H](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1CCC(=O)C[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
The InChIKey is FQGGYLPIAXNHKU-AUNSLMQVSA-N. The full InChI is InChI=1S/C36H43NO5/c1-27-26-33(42-34(27)23-22-32(38)25-28(2)35(39)37(3)40-4)21-14-24-41-36(29-15-8-5-9-16-29,30-17-10-6-11-18-30)31-19-12-7-13-20-31/h5-13,15-20,28,33-34H,1,14,21-26H2,2-4H3/t28-,33+,34?/m1/s1.
What are the key properties of (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide?
(2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide has a molecular weight of 569.74 g/mol, XLogP of 6.88, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methoxy-N,2-dimethyl-6-[(5S)-3-methylidene-5-(3-trityloxypropyl)oxolan-2-yl]-4-oxohexanamide is sourced from PubChem (CID 167099099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).