2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide

C15H22F2N2O2 — CID 79813978

IUPAC2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-4-15(18,5-2)13(20)19-10(3)11-8-6-7-9-12(11)21-14(16)17/h6-10,14H,4-5,18H2,1-3H3,(H,19,20)
InChIKeyZRBFOATZVSHPAW-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.98
Rot. Bonds7

About 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide

2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide (PubChem CID 79813978) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
PubChem CID79813978
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-4-15(18,5-2)13(20)19-10(3)11-8-6-7-9-12(11)21-14(16)17/h6-10,14H,4-5,18H2,1-3H3,(H,19,20)
InChIKeyZRBFOATZVSHPAW-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 79797474
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-amino-2-ethyl-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 79815252
2-amino-2-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387544
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide (CID 79813978) is 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NC(C)c1ccccc1OC(F)F.
What is the InChIKey of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide?
The InChIKey is ZRBFOATZVSHPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-4-15(18,5-2)13(20)19-10(3)11-8-6-7-9-12(11)21-14(16)17/h6-10,14H,4-5,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide?
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide has a molecular weight of 300.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 79813978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).