(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide

C13H18F2N2O2 — CID 79012907

IUPAC(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-8(2)11(16)12(18)17-7-9-3-5-10(6-4-9)19-13(14)15/h3-6,8,11,13H,7,16H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGYVKPZSXXPXSHH-LLVKDONJSA-N
MW272.30 g/mol
LogP1.89
Rot. Bonds6

About (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide

(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide (PubChem CID 79012907) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
PubChem CID79012907
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-8(2)11(16)12(18)17-7-9-3-5-10(6-4-9)19-13(14)15/h3-6,8,11,13H,7,16H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyGYVKPZSXXPXSHH-LLVKDONJSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
CID 103831064
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 65229370
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
(2S)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119297048
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide (CID 79012907) is (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide?
The InChIKey is GYVKPZSXXPXSHH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(2)11(16)12(18)17-7-9-3-5-10(6-4-9)19-13(14)15/h3-6,8,11,13H,7,16H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide?
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide has a molecular weight of 272.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 79012907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).