(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide

C23H31FN2O — CID 165140764

IUPAC(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide
SMILESCC[C@H](F)C[C@H](C)C(=O)N[C@@H](c1ccccc1)c1cc(C)c(C(C)C)cn1
InChIInChI=1S/C23H31FN2O/c1-6-19(24)12-17(5)23(27)26-22(18-10-8-7-9-11-18)21-13-16(4)20(14-25-21)15(2)3/h7-11,13-15,17,19,22H,6,12H2,1-5H3,(H,26,27)/t17-,19-,22-/m0/s1
InChIKeyPNHOLCZSVRYMKJ-JLMWRMLUSA-N
MW370.51 g/mol
LogP5.49
Rot. Bonds8

About (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide

(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide (PubChem CID 165140764) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide
PubChem CID165140764
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide
SMILESCC[C@H](F)C[C@H](C)C(=O)N[C@@H](c1ccccc1)c1cc(C)c(C(C)C)cn1
InChIInChI=1S/C23H31FN2O/c1-6-19(24)12-17(5)23(27)26-22(18-10-8-7-9-11-18)21-13-16(4)20(14-25-21)15(2)3/h7-11,13-15,17,19,22H,6,12H2,1-5H3,(H,26,27)/t17-,19-,22-/m0/s1
InChIKeyPNHOLCZSVRYMKJ-JLMWRMLUSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide?
The IUPAC name of (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide (CID 165140764) is (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide.
What is the SMILES notation for (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide?
The canonical SMILES for (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide is CC[C@H](F)C[C@H](C)C(=O)N[C@@H](c1ccccc1)c1cc(C)c(C(C)C)cn1.
What is the InChIKey of (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide?
The InChIKey is PNHOLCZSVRYMKJ-JLMWRMLUSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-6-19(24)12-17(5)23(27)26-22(18-10-8-7-9-11-18)21-13-16(4)20(14-25-21)15(2)3/h7-11,13-15,17,19,22H,6,12H2,1-5H3,(H,26,27)/t17-,19-,22-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide?
(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide has a molecular weight of 370.51 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide is sourced from PubChem (CID 165140764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).