2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C23H29FN2O2 — CID 60570632

IUPAC2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C23H29FN2O2/c1-2-26(16-20-10-6-11-21(24)14-20)23(27)18-25(17-22-12-7-13-28-22)15-19-8-4-3-5-9-19/h3-6,8-11,14,22H,2,7,12-13,15-18H2,1H3
InChIKeyUXSHSCMNPHYKOX-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.86
Rot. Bonds9

About 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 60570632) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID60570632
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C23H29FN2O2/c1-2-26(16-20-10-6-11-21(24)14-20)23(27)18-25(17-22-12-7-13-28-22)15-19-8-4-3-5-9-19/h3-6,8-11,14,22H,2,7,12-13,15-18H2,1H3
InChIKeyUXSHSCMNPHYKOX-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 60565130
N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60606738
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(3-ethylphenyl)acetamide
CID 55840577
3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
CID 94477534
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 60570632) is 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is UXSHSCMNPHYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-2-26(16-20-10-6-11-21(24)14-20)23(27)18-25(17-22-12-7-13-28-22)15-19-8-4-3-5-9-19/h3-6,8-11,14,22H,2,7,12-13,15-18H2,1H3.
What are the key properties of 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60570632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).