N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide

C19H24N2O2 — CID 95275156

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CCCc2ccccn2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-12-10-16(11-13-18)15(2)21-19(22)9-6-8-17-7-4-5-14-20-17/h4-5,7,10-15H,3,6,8-9H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyXGMFFUHLYUEMIW-OAHLLOKOSA-N
MW312.41 g/mol
LogP3.68
Rot. Bonds8

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide (PubChem CID 95275156) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
PubChem CID95275156
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CCCc2ccccn2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-12-10-16(11-13-18)15(2)21-19(22)9-6-8-17-7-4-5-14-20-17/h4-5,7,10-15H,3,6,8-9H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyXGMFFUHLYUEMIW-OAHLLOKOSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
CID 96509361
4-[[(2S)-2-aminopropanoyl]amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 119345046
2-amino-N-[4-[1-(4-ethoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 119946012
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 37019385
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide (CID 95275156) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide is CCOc1ccc([C@@H](C)NC(=O)CCCc2ccccn2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide?
The InChIKey is XGMFFUHLYUEMIW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18-12-10-16(11-13-18)15(2)21-19(22)9-6-8-17-7-4-5-14-20-17/h4-5,7,10-15H,3,6,8-9H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 95275156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).