4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide

C19H26FNO3 — CID 71994688

IUPAC4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide
SMILESCOC1CCC(N(C)C(=O)C(C)CC(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H26FNO3/c1-13(12-18(22)16-6-4-5-7-17(16)20)19(23)21(2)14-8-10-15(24-3)11-9-14/h4-7,13-15H,8-12H2,1-3H3
InChIKeyMAAYUGAFBSRVTR-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.45
Rot. Bonds6

About 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide

4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide (PubChem CID 71994688) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide
PubChem CID71994688
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide
SMILESCOC1CCC(N(C)C(=O)C(C)CC(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H26FNO3/c1-13(12-18(22)16-6-4-5-7-17(16)20)19(23)21(2)14-8-10-15(24-3)11-9-14/h4-7,13-15H,8-12H2,1-3H3
InChIKeyMAAYUGAFBSRVTR-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
CID 124741664
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 23931327
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 55005236
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755
(3S)-N,N-diethyl-5-(2-fluorophenyl)-3-hydroxy-5-oxopentanamide
CID 102292638

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide (CID 71994688) is 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide is COC1CCC(N(C)C(=O)C(C)CC(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide?
The InChIKey is MAAYUGAFBSRVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-13(12-18(22)16-6-4-5-7-17(16)20)19(23)21(2)14-8-10-15(24-3)11-9-14/h4-7,13-15H,8-12H2,1-3H3.
What are the key properties of 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide?
4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide has a molecular weight of 335.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 71994688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).