(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide

C14H20F2N2O2 — CID 107568388

IUPAC(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-5-12(17)13(19)18-9(2)10-6-4-7-11(8-10)20-14(15)16/h4,6-9,12,14H,3,5,17H2,1-2H3,(H,18,19)/t9?,12-/m0/s1
InChIKeySDEARYZLWNELGD-ACGXKRRESA-N
MW286.32 g/mol
LogP2.59
Rot. Bonds7

About (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide

(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide (PubChem CID 107568388) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
PubChem CID107568388
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-5-12(17)13(19)18-9(2)10-6-4-7-11(8-10)20-14(15)16/h4,6-9,12,14H,3,5,17H2,1-2H3,(H,18,19)/t9?,12-/m0/s1
InChIKeySDEARYZLWNELGD-ACGXKRRESA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 104907136
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
(2R)-2-amino-4-methylsulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 104907254
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide (CID 107568388) is (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide is CCC[C@H](N)C(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide?
The InChIKey is SDEARYZLWNELGD-ACGXKRRESA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-5-12(17)13(19)18-9(2)10-6-4-7-11(8-10)20-14(15)16/h4,6-9,12,14H,3,5,17H2,1-2H3,(H,18,19)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide?
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide has a molecular weight of 286.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide is sourced from PubChem (CID 107568388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).