N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide

C23H29NO4 — CID 124938713

IUPACN-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(-c2cccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)c2)cc1
InChIInChI=1S/C23H29NO4/c1-17(16-25)24-22(26)23(10-12-28-13-11-23)15-18-4-3-5-20(14-18)19-6-8-21(27-2)9-7-19/h3-9,14,17,25H,10-13,15-16H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyFKPMMACLKFHATN-QGZVFWFLSA-N
MW383.49 g/mol
LogP3.20
Rot. Bonds7

About N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide (PubChem CID 124938713) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
PubChem CID124938713
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(-c2cccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)c2)cc1
InChIInChI=1S/C23H29NO4/c1-17(16-25)24-22(26)23(10-12-28-13-11-23)15-18-4-3-5-20(14-18)19-6-8-21(27-2)9-7-19/h3-9,14,17,25H,10-13,15-16H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyFKPMMACLKFHATN-QGZVFWFLSA-N
XLogP3.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 110075870
4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 124940484
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110075872
N-(1-hydroxypropan-2-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082863
N-[(2R)-1-methoxypropan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124952155
N-[(2S)-butan-2-yl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938836
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124958697
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 110088909
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]oxane-4-carboxamide
CID 124964866
N-[(2S)-1-hydroxybutan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 125010649

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide (CID 124938713) is N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide is COc1ccc(-c2cccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)c2)cc1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is FKPMMACLKFHATN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17(16-25)24-22(26)23(10-12-28-13-11-23)15-18-4-3-5-20(14-18)19-6-8-21(27-2)9-7-19/h3-9,14,17,25H,10-13,15-16H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 124938713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).