N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide

C25H28N2O2 — CID 53318391

IUPACN-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C25H28N2O2/c1-18(2)22-11-9-20(10-12-22)15-25(28)27-19(3)24-14-13-23(16-26-24)29-17-21-7-5-4-6-8-21/h4-14,16,18-19H,15,17H2,1-3H3,(H,27,28)/t19-/m1/s1
InChIKeyMAWUUCAWHHEQIZ-LJQANCHMSA-N
MW388.51 g/mol
LogP5.20
Rot. Bonds8

About N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide

N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 53318391) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID53318391
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C25H28N2O2/c1-18(2)22-11-9-20(10-12-22)15-25(28)27-19(3)24-14-13-23(16-26-24)29-17-21-7-5-4-6-8-21/h4-14,16,18-19H,15,17H2,1-3H3,(H,27,28)/t19-/m1/s1
InChIKeyMAWUUCAWHHEQIZ-LJQANCHMSA-N
XLogP5.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42609962
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
N-(3-(ethylcarbamoyl) benzyl)-6H-isochromeno [3,4-c] pyridine-8-carboxamide
CID 129159093
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
CID 10697355
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 16731843
Tta-A2
CID 53317097
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(pyridin-3-yloxy)methyl]phenyl}propanoicacid
CID 9982348
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide (CID 53318391) is N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCc3ccccc3)cn2)cc1.
What is the InChIKey of N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MAWUUCAWHHEQIZ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18(2)22-11-9-20(10-12-22)15-25(28)27-19(3)24-14-13-23(16-26-24)29-17-21-7-5-4-6-8-21/h4-14,16,18-19H,15,17H2,1-3H3,(H,27,28)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-phenylmethoxy-2-pyridinyl)ethyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53318391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).