N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane

C28H35ClN2O2 — CID 142807512

IUPACN-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
SMILESCC.Cc1cccc(C(Cc2ccc(Cl)cc2)C(C)NC(=O)C(C)(C)Oc2ccccn2)c1
InChIInChI=1S/C26H29ClN2O2.C2H6/c1-18-8-7-9-21(16-18)23(17-20-11-13-22(27)14-12-20)19(2)29-25(30)26(3,4)31-24-10-5-6-15-28-24;1-2/h5-16,19,23H,17H2,1-4H3,(H,29,30);1-2H3
InChIKeyUDDFVTMWTWOOLR-UHFFFAOYSA-N
MW467.05 g/mol
LogP6.76
Rot. Bonds8

About N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane

N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane (PubChem CID 142807512) has the molecular formula C28H35ClN2O2 and a molecular weight of 467.05 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
PubChem CID142807512
Molecular FormulaC28H35ClN2O2
Molecular Weight467.05 g/mol
Exact Mass466.24
IUPAC NameN-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
SMILESCC.Cc1cccc(C(Cc2ccc(Cl)cc2)C(C)NC(=O)C(C)(C)Oc2ccccn2)c1
InChIInChI=1S/C26H29ClN2O2.C2H6/c1-18-8-7-9-21(16-18)23(17-20-11-13-22(27)14-12-20)19(2)29-25(30)26(3,4)31-24-10-5-6-15-28-24;1-2/h5-16,19,23H,17H2,1-4H3,(H,29,30);1-2H3
InChIKeyUDDFVTMWTWOOLR-UHFFFAOYSA-N
XLogP6.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane
CID 91332393
6-[1-[[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-carboxamide
CID 59846819
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(5-chloropyrimidin-2-yl)oxy-2-methylpropanamide
CID 23404721
N-[(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
CID 23404712
3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
N-[4-(4-chlorophenyl)-3-(3-ethenylphenyl)butan-2-yl]-2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 142807522
N-[3-[3-(2-amino-2-oxoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59846824
6-[1-[[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-sulfinate
CID 23404806
2-[[5-(2-amino-2-iminoethoxy)-2-pyridinyl]oxy]-N-[3-(3-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]-2-methylpropanamide
CID 59846817
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]-2-methylpropanamide
CID 142807556
2-(3-chlorophenoxy)-N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methylpropanamide
CID 129391340
N-[3-[3-(2-amino-2-iminoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25119024

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?
The IUPAC name of N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane (CID 142807512) is N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane is CC.Cc1cccc(C(Cc2ccc(Cl)cc2)C(C)NC(=O)C(C)(C)Oc2ccccn2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?
The InChIKey is UDDFVTMWTWOOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2.C2H6/c1-18-8-7-9-21(16-18)23(17-20-11-13-22(27)14-12-20)19(2)29-25(30)26(3,4)31-24-10-5-6-15-28-24;1-2/h5-16,19,23H,17H2,1-4H3,(H,29,30);1-2H3.
What are the key properties of N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane?
N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane has a molecular weight of 467.05 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-(3-methylphenyl)butan-2-yl]-2-methyl-2-pyridin-2-yloxypropanamide;ethane is sourced from PubChem (CID 142807512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).