4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide

C16H24F2N2O2 — CID 10805210

IUPAC4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide
SMILESCCCCCNC(=O)C(F)(F)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C16H24F2N2O2/c1-2-3-7-10-20-15(22)16(17,18)14(21)13(19)11-12-8-5-4-6-9-12/h4-6,8-9,13-14,21H,2-3,7,10-11,19H2,1H3,(H,20,22)
InChIKeyFSKXCEIMJITSEF-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.86
Rot. Bonds9

About 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide

4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide (PubChem CID 10805210) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide.

Molecular Properties

Compound Name4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide
PubChem CID10805210
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide
SMILESCCCCCNC(=O)C(F)(F)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C16H24F2N2O2/c1-2-3-7-10-20-15(22)16(17,18)14(21)13(19)11-12-8-5-4-6-9-12/h4-6,8-9,13-14,21H,2-3,7,10-11,19H2,1H3,(H,20,22)
InChIKeyFSKXCEIMJITSEF-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide
CID 139926243
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
3-[(4-amino-2,2-difluoro-3-hydroxy-5-phenylpentanoyl)amino]benzoic acid
CID 10761262
methyl 2-[[2-[(4-amino-2,2-difluoro-3-hydroxy-5-phenylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 70354317
(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 28820182
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 54136965
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655
4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 54415841
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide?
The IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide (CID 10805210) is 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide.
What is the SMILES notation for 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide?
The canonical SMILES for 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide is CCCCCNC(=O)C(F)(F)C(O)C(N)Cc1ccccc1.
What is the InChIKey of 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide?
The InChIKey is FSKXCEIMJITSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-2-3-7-10-20-15(22)16(17,18)14(21)13(19)11-12-8-5-4-6-9-12/h4-6,8-9,13-14,21H,2-3,7,10-11,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide?
4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide has a molecular weight of 314.38 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide is sourced from PubChem (CID 10805210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).