3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide

C28H33NO2 — CID 67942741

IUPAC3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide
SMILESCC(C)c1cccc(C(C)C)c1C(CC(N)=O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c1-20(2)24-16-11-17-25(21(3)4)27(24)28(18-26(29)30,23-14-9-6-10-15-23)31-19-22-12-7-5-8-13-22/h5-17,20-21H,18-19H2,1-4H3,(H2,29,30)
InChIKeyLTWZXJFZOYSFRN-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.27
Rot. Bonds9

About 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide

3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide (PubChem CID 67942741) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide
PubChem CID67942741
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide
SMILESCC(C)c1cccc(C(C)C)c1C(CC(N)=O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c1-20(2)24-16-11-17-25(21(3)4)27(24)28(18-26(29)30,23-14-9-6-10-15-23)31-19-22-12-7-5-8-13-22/h5-17,20-21H,18-19H2,1-4H3,(H2,29,30)
InChIKeyLTWZXJFZOYSFRN-UHFFFAOYSA-N
XLogP6.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-4-[4-(4-fluorophenyl)phenyl]-6-(phenylmethoxymethyl)decanamide
CID 67717514
6-[2-Ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-6-methoxycyclohexa-2,4-diene-1-carboxamide
CID 87088870
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride
CID 87779430
3-[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclohexyl]propanamide
CID 88462193
4-Amino-6-(1-cyclohexylethoxy)-3-fluoro-6-(2-methylphenyl)cyclohexa-2,4-diene-1-carboxamide
CID 152374244
(2R)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-N-hydroxy-3-phenylmethoxypropanamide
CID 159084214
6-(3-Methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)cyclohexa-2,4-diene-1-carboxamide
CID 175777497
(2R)-2-phenyl-3-phenylmethoxypropanamide
CID 101216590
(2R)-2-(phenylmethoxymethyl)decanamide
CID 101216591
(2R)-2-(phenylmethoxymethyl)octadecanamide
CID 101216592
3-[(4-Fluorophenyl)methoxy]-2-phenylpropanamide
CID 69312055
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide
CID 87779431

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide (CID 67942741) is 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide is CC(C)c1cccc(C(C)C)c1C(CC(N)=O)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide?
The InChIKey is LTWZXJFZOYSFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-20(2)24-16-11-17-25(21(3)4)27(24)28(18-26(29)30,23-14-9-6-10-15-23)31-19-22-12-7-5-8-13-22/h5-17,20-21H,18-19H2,1-4H3,(H2,29,30).
What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide?
3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide has a molecular weight of 415.58 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenyl]-3-phenyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 67942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).