(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide

C15H22F2N2O — CID 119767637

IUPAC(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H22F2N2O/c1-4-19(15(20)14(18)8-10(2)3)9-11-12(16)6-5-7-13(11)17/h5-7,10,14H,4,8-9,18H2,1-3H3/t14-/m0/s1
InChIKeyGBWHCQMOGDISGI-AWEZNQCLSA-N
MW284.35 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide

(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide (PubChem CID 119767637) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
PubChem CID119767637
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H22F2N2O/c1-4-19(15(20)14(18)8-10(2)3)9-11-12(16)6-5-7-13(11)17/h5-7,10,14H,4,8-9,18H2,1-3H3/t14-/m0/s1
InChIKeyGBWHCQMOGDISGI-AWEZNQCLSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
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CID 3082491
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
Smac peptido-mimetic 1
CID 11200722
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-1-ethyl-3-methyl-1,4-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide (CID 119767637) is (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide is CCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide?
The InChIKey is GBWHCQMOGDISGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-4-19(15(20)14(18)8-10(2)3)9-11-12(16)6-5-7-13(11)17/h5-7,10,14H,4,8-9,18H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide?
(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide has a molecular weight of 284.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 119767637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).