(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide

C20H29FN2O2 — CID 95125347

IUPAC(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
SMILESC[C@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29FN2O2/c1-15(19(24)23-18-7-2-3-8-18)22-14-20(9-11-25-12-10-20)16-5-4-6-17(21)13-16/h4-6,13,15,18,22H,2-3,7-12,14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyGXGBREXULLGGDK-HNNXBMFYSA-N
MW348.46 g/mol
LogP2.91
Rot. Bonds6

About (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide

(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide (PubChem CID 95125347) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
PubChem CID95125347
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
SMILESC[C@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29FN2O2/c1-15(19(24)23-18-7-2-3-8-18)22-14-20(9-11-25-12-10-20)16-5-4-6-17(21)13-16/h4-6,13,15,18,22H,2-3,7-12,14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyGXGBREXULLGGDK-HNNXBMFYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
(2S)-N-(cyclopentylcarbamoyl)-2-[(1-phenylcyclopentyl)methylamino]propanamide
CID 33166500
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
CID 86839214
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
CID 155504602

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide (CID 95125347) is (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide is C[C@H](NCC1(c2cccc(F)c2)CCOCC1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide?
The InChIKey is GXGBREXULLGGDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15(19(24)23-18-7-2-3-8-18)22-14-20(9-11-25-12-10-20)16-5-4-6-17(21)13-16/h4-6,13,15,18,22H,2-3,7-12,14H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide?
(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide has a molecular weight of 348.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide is sourced from PubChem (CID 95125347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).