(3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide

C21H25FN2O2 — CID 44589931

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide
SMILESN[C@@H](CC(=O)NC1(c2ccccc2)CCOCC1)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(10-12-26-13-11-21)17-7-2-1-3-8-17/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
InChIKeyGSHZCMRQOQJXOZ-GOSISDBHSA-N
MW356.44 g/mol
LogP2.91
Rot. Bonds6

About (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide (PubChem CID 44589931) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide
PubChem CID44589931
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide
SMILESN[C@@H](CC(=O)NC1(c2ccccc2)CCOCC1)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(10-12-26-13-11-21)17-7-2-1-3-8-17/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
InChIKeyGSHZCMRQOQJXOZ-GOSISDBHSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-ethyl 3-(4,4-difluorocyclohexanecarboxamido)-3-phenylpropanoate
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4-Phenyl-8-(4-phenyl-tetrahydro-pyran-4-yl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11429237
Ethyl [1-({[1-(2-fluorobenzyl)-6-oxo-3-piperidinyl]carbonyl}amino)cyclohexyl]acetate
CID 24790466
(R)-3-amino-N-(1-benzyl-4-phenylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
CID 44589877
(R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide
CID 44589879
(R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
CID 44589876
(R)-3-amino-N-(1,4-dibenzylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
CID 44589878
N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
N-[4-(3-fluorophenyl)oxan-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 72118537
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
CID 75462681
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide (CID 44589931) is (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide is N[C@@H](CC(=O)NC1(c2ccccc2)CCOCC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide?
The InChIKey is GSHZCMRQOQJXOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(10-12-26-13-11-21)17-7-2-1-3-8-17/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide has a molecular weight of 356.44 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 (3R)-3-amino-4-(2-fluorophenyl)-N-(4-phenyloxan-4-yl)butanamide is sourced from PubChem (CID 44589931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).