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

C14H20F2N2O2 — CID 119763023

IUPAC2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-9(2)12(17)13(19)18-8-10-5-4-6-11(7-10)20-14(15)16/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyWNUKCVNIXAVGNS-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.28
Rot. Bonds7

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

2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide (PubChem CID 119763023) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
PubChem CID119763023
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-9(2)12(17)13(19)18-8-10-5-4-6-11(7-10)20-14(15)16/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyWNUKCVNIXAVGNS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
(2S)-2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119311563
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
2-benzylsulfanyl-N-[[3-(difluoromethoxy)phenyl]methyl]propanamide
CID 49336481
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide (CID 119763023) is 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide?
The InChIKey is WNUKCVNIXAVGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-9(2)12(17)13(19)18-8-10-5-4-6-11(7-10)20-14(15)16/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide?
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide has a molecular weight of 286.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 119763023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).