N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide

C16H24N2O2 — CID 95633137

IUPACN-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@@H](c1ccncc1)N(CC)C(=O)C[C@@H]1CCCO1
InChIInChI=1S/C16H24N2O2/c1-3-15(13-7-9-17-10-8-13)18(4-2)16(19)12-14-6-5-11-20-14/h7-10,14-15H,3-6,11-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyFEMNDJFYZUBXLN-GJZGRUSLSA-N
MW276.38 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide

N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide (PubChem CID 95633137) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
PubChem CID95633137
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@@H](c1ccncc1)N(CC)C(=O)C[C@@H]1CCCO1
InChIInChI=1S/C16H24N2O2/c1-3-15(13-7-9-17-10-8-13)18(4-2)16(19)12-14-6-5-11-20-14/h7-10,14-15H,3-6,11-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyFEMNDJFYZUBXLN-GJZGRUSLSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
CID 62622674
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylsulfanylacetamide
CID 131895770
1-ethyl-3-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(1R)-1-pyridin-4-ylpropyl]urea
CID 97224625
4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide
CID 112517169
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The IUPAC name of N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide (CID 95633137) is N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The canonical SMILES for N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide is CC[C@@H](c1ccncc1)N(CC)C(=O)C[C@@H]1CCCO1.
What is the InChIKey of N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The InChIKey is FEMNDJFYZUBXLN-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-15(13-7-9-17-10-8-13)18(4-2)16(19)12-14-6-5-11-20-14/h7-10,14-15H,3-6,11-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide is sourced from PubChem (CID 95633137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).