2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C18H25FN2O3 — CID 111753851

IUPAC2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC(O)c1ccc(F)cc1)C1CC1)NCC1CCCO1
InChIInChI=1S/C18H25FN2O3/c19-14-5-3-13(4-6-14)17(22)11-21(15-7-8-15)12-18(23)20-10-16-2-1-9-24-16/h3-6,15-17,22H,1-2,7-12H2,(H,20,23)
InChIKeyCNLDFAUPYABYLY-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.62
Rot. Bonds8

About 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 111753851) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID111753851
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC(O)c1ccc(F)cc1)C1CC1)NCC1CCCO1
InChIInChI=1S/C18H25FN2O3/c19-14-5-3-13(4-6-14)17(22)11-21(15-7-8-15)12-18(23)20-10-16-2-1-9-24-16/h3-6,15-17,22H,1-2,7-12H2,(H,20,23)
InChIKeyCNLDFAUPYABYLY-UHFFFAOYSA-N
XLogP1.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129421269
(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 129424046
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60504402
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
2-[(4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 127266916
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 662297
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 111753851) is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC(O)c1ccc(F)cc1)C1CC1)NCC1CCCO1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CNLDFAUPYABYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-14-5-3-13(4-6-14)17(22)11-21(15-7-8-15)12-18(23)20-10-16-2-1-9-24-16/h3-6,15-17,22H,1-2,7-12H2,(H,20,23).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 111753851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).