3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide

C16H18N2O2 — CID 40637184

IUPAC3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESCCOc1cccc(C(=O)N[C@H](C)c2ccncc2)c1
InChIInChI=1S/C16H18N2O2/c1-3-20-15-6-4-5-14(11-15)16(19)18-12(2)13-7-9-17-10-8-13/h4-12H,3H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQFKLANCOQIHTRY-GFCCVEGCSA-N
MW270.33 g/mol
LogP2.97
Rot. Bonds5

About 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide

3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 40637184) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID40637184
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESCCOc1cccc(C(=O)N[C@H](C)c2ccncc2)c1
InChIInChI=1S/C16H18N2O2/c1-3-20-15-6-4-5-14(11-15)16(19)18-12(2)13-7-9-17-10-8-13/h4-12H,3H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQFKLANCOQIHTRY-GFCCVEGCSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
4-butoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27232734
3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
CID 159762229

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 40637184) is 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide is CCOc1cccc(C(=O)N[C@H](C)c2ccncc2)c1.
What is the InChIKey of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is QFKLANCOQIHTRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-15-6-4-5-14(11-15)16(19)18-12(2)13-7-9-17-10-8-13/h4-12H,3H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 40637184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).