4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide

C24H31NO3 — CID 124940484

IUPAC4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)cc2)c1
InChIInChI=1S/C24H31NO3/c1-17-12-18(2)14-22(13-17)21-6-4-20(5-7-21)15-24(8-10-28-11-9-24)23(27)25-19(3)16-26/h4-7,12-14,19,26H,8-11,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyAGRMJEUGVATCEK-LJQANCHMSA-N
MW381.52 g/mol
LogP3.81
Rot. Bonds6

About 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide

4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide (PubChem CID 124940484) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide
PubChem CID124940484
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)cc2)c1
InChIInChI=1S/C24H31NO3/c1-17-12-18(2)14-22(13-17)21-6-4-20(5-7-21)15-24(8-10-28-11-9-24)23(27)25-19(3)16-26/h4-7,12-14,19,26H,8-11,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyAGRMJEUGVATCEK-LJQANCHMSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082863
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938713
4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide
CID 110222678
4-[[3-(3,5-dimethylphenyl)phenyl]methyl]-N-(4-hydroxy-2-methylpentan-2-yl)oxane-4-carboxamide
CID 132766651
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(1-methoxypropan-2-yl)oxane-4-carboxamide
CID 132766427
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
N-(2-acetamidoethyl)-4-[[3-(3,5-dimethylphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129455278
4-(aminomethyl)-N-[1-(3,5-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 120931700
4-[[3-(3,5-dimethylphenyl)phenyl]methyl]-N-(3-methoxypropyl)oxane-4-carboxamide
CID 110085030
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-[[4-(3,4-difluorophenyl)phenyl]methyl]-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 110082611

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide (CID 124940484) is 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide is Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@H](C)CO)CCOCC3)cc2)c1.
What is the InChIKey of 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
The InChIKey is AGRMJEUGVATCEK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31NO3/c1-17-12-18(2)14-22(13-17)21-6-4-20(5-7-21)15-24(8-10-28-11-9-24)23(27)25-19(3)16-26/h4-7,12-14,19,26H,8-11,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1.
What are the key properties of 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide?
4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 124940484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).