4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide

C18H26FNO2 — CID 135108533

IUPAC4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
SMILESCN(CCCC1CCCO1)C(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C18H26FNO2/c1-20(13-3-6-17-7-4-14-22-17)18(21)8-2-5-15-9-11-16(19)12-10-15/h9-12,17H,2-8,13-14H2,1H3
InChIKeyGJRVENABXLZKOA-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.57
Rot. Bonds8

About 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide

4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide (PubChem CID 135108533) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
PubChem CID135108533
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
SMILESCN(CCCC1CCCO1)C(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C18H26FNO2/c1-20(13-3-6-17-7-4-14-22-17)18(21)8-2-5-15-9-11-16(19)12-10-15/h9-12,17H,2-8,13-14H2,1H3
InChIKeyGJRVENABXLZKOA-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
CID 125161756
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126453434
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
4-[3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686880
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide (CID 135108533) is 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide is CN(CCCC1CCCO1)C(=O)CCCc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide?
The InChIKey is GJRVENABXLZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-20(13-3-6-17-7-4-14-22-17)18(21)8-2-5-15-9-11-16(19)12-10-15/h9-12,17H,2-8,13-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide?
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide has a molecular weight of 307.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide is sourced from PubChem (CID 135108533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).