(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide

C13H18F2N2O2 — CID 61179102

IUPAC(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-3-8(2)11(16)12(18)17-9-5-4-6-10(7-9)19-13(14)15/h4-8,11,13H,3,16H2,1-2H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyXLUWNFIDLOJAJY-KWQFWETISA-N
MW272.29 g/mol
LogP2.60
Rot. Bonds6

About (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide (PubChem CID 61179102) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
PubChem CID61179102
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-3-8(2)11(16)12(18)17-9-5-4-6-10(7-9)19-13(14)15/h4-8,11,13H,3,16H2,1-2H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyXLUWNFIDLOJAJY-KWQFWETISA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide (CID 61179102) is (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide?
The InChIKey is XLUWNFIDLOJAJY-KWQFWETISA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-3-8(2)11(16)12(18)17-9-5-4-6-10(7-9)19-13(14)15/h4-8,11,13H,3,16H2,1-2H3,(H,17,18)/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide has a molecular weight of 272.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide is sourced from PubChem (CID 61179102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).