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

C24H31NO3 — CID 110222678

IUPAC4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide
SMILESCc1ccc(-c2ccccc2CC2(C(=O)NC(C)CO)CCOCC2)c(C)c1
InChIInChI=1S/C24H31NO3/c1-17-8-9-21(18(2)14-17)22-7-5-4-6-20(22)15-24(10-12-28-13-11-24)23(27)25-19(3)16-26/h4-9,14,19,26H,10-13,15-16H2,1-3H3,(H,25,27)
InChIKeyVMMDZOHYLLVTBG-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.81
Rot. Bonds6

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

4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide (PubChem CID 110222678) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide
PubChem CID110222678
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide
SMILESCc1ccc(-c2ccccc2CC2(C(=O)NC(C)CO)CCOCC2)c(C)c1
InChIInChI=1S/C24H31NO3/c1-17-8-9-21(18(2)14-17)22-7-5-4-6-20(22)15-24(10-12-28-13-11-24)23(27)25-19(3)16-26/h4-9,14,19,26H,10-13,15-16H2,1-3H3,(H,25,27)
InChIKeyVMMDZOHYLLVTBG-UHFFFAOYSA-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

4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)oxane-4-carboxamide
CID 92556110
4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(oxan-3-ylmethyl)oxane-4-carboxamide
CID 110222681
4-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[(2R)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 124940484
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
4-(aminomethyl)-N-[1-(2,4-dimethylphenyl)ethyl]oxane-4-carboxamide
CID 115439158
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
N-[(2R)-1-hydroxypropan-2-yl]-4-[[3-(4-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124938713
N-(1-hydroxypropan-2-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082863
N-(cyclopropylmethyl)-4-[[2-[3-(propan-2-ylcarbamoyl)phenyl]phenyl]methyl]oxane-4-carboxamide
CID 129456909
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620700
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide (CID 110222678) is 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide is Cc1ccc(-c2ccccc2CC2(C(=O)NC(C)CO)CCOCC2)c(C)c1.
What is the InChIKey of 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide?
The InChIKey is VMMDZOHYLLVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-17-8-9-21(18(2)14-17)22-7-5-4-6-20(22)15-24(10-12-28-13-11-24)23(27)25-19(3)16-26/h4-9,14,19,26H,10-13,15-16H2,1-3H3,(H,25,27).
What are the key properties of 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide?
4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(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-[[2-(2,4-dimethylphenyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 110222678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).