N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide

C23H29NO6 — CID 102475457

IUPACN-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide
SMILESCOc1cccc(OC)c1[C@@H]1CC(NC(C)=O)C[C@H](c2c(OC)cccc2OC)O1
InChIInChI=1S/C23H29NO6/c1-14(25)24-15-12-20(22-16(26-2)8-6-9-17(22)27-3)30-21(13-15)23-18(28-4)10-7-11-19(23)29-5/h6-11,15,20-21H,12-13H2,1-5H3,(H,24,25)/t15?,20-,21+
InChIKeyISAQKHRPIQZQRY-ZKSIIRFLSA-N
MW415.49 g/mol
LogP3.82
Rot. Bonds7

About N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide

N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide (PubChem CID 102475457) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide
PubChem CID102475457
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC NameN-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide
SMILESCOc1cccc(OC)c1[C@@H]1CC(NC(C)=O)C[C@H](c2c(OC)cccc2OC)O1
InChIInChI=1S/C23H29NO6/c1-14(25)24-15-12-20(22-16(26-2)8-6-9-17(22)27-3)30-21(13-15)23-18(28-4)10-7-11-19(23)29-5/h6-11,15,20-21H,12-13H2,1-5H3,(H,24,25)/t15?,20-,21+
InChIKeyISAQKHRPIQZQRY-ZKSIIRFLSA-N
XLogP3.82
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide with MolForge

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Related Compounds

methyl 3-[(2R,4R,6S)-4-acetamido-6-(3-methoxyphenyl)oxan-2-yl]benzoate
CID 121302337
N-[(2S,4R,6S)-2-(4-methoxy-2,3-dimethylphenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
CID 50971379
2-[2-[(2R,4S,6S)-4-acetamido-6-phenyloxan-2-yl]-5-fluorophenoxy]acetic acid
CID 110166476
N-(4-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 19876157
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
CID 139628483
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
N-[(2S,4R,6S)-2-(7-methoxy-1,3-benzodioxol-5-yl)-6-(2-phenylethyl)oxan-4-yl]acetamide
CID 50951645
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-[(2R,4S,6S)-2-(3-acetylphenyl)-6-propan-2-yloxan-4-yl]acetamide
CID 133117595
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
CID 72902026

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide (CID 102475457) is N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide is COc1cccc(OC)c1[C@@H]1CC(NC(C)=O)C[C@H](c2c(OC)cccc2OC)O1.
What is the InChIKey of N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide?
The InChIKey is ISAQKHRPIQZQRY-ZKSIIRFLSA-N. The full InChI is InChI=1S/C23H29NO6/c1-14(25)24-15-12-20(22-16(26-2)8-6-9-17(22)27-3)30-21(13-15)23-18(28-4)10-7-11-19(23)29-5/h6-11,15,20-21H,12-13H2,1-5H3,(H,24,25)/t15?,20-,21+.
What are the key properties of N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide?
N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-2,6-bis(2,6-dimethoxyphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 102475457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).