2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide

C15H20F2N2O2 — CID 63920985

IUPAC2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(COc1ccc(F)c(F)c1)(C(N)=O)C1CC1
InChIInChI=1S/C15H20F2N2O2/c1-9(2)19-15(14(18)20,10-3-4-10)8-21-11-5-6-12(16)13(17)7-11/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,18,20)
InChIKeyAYPBSQTYBIZNAL-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.98
Rot. Bonds7

About 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide (PubChem CID 63920985) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide
PubChem CID63920985
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(COc1ccc(F)c(F)c1)(C(N)=O)C1CC1
InChIInChI=1S/C15H20F2N2O2/c1-9(2)19-15(14(18)20,10-3-4-10)8-21-11-5-6-12(16)13(17)7-11/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,18,20)
InChIKeyAYPBSQTYBIZNAL-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(4-ethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63919201
methyl 2-cyclopropyl-3-(3-methylphenoxy)-2-(propan-2-ylamino)propanoate
CID 63918634
2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylphenoxy)propanamide
CID 63920781
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
methyl 3-(3,4-difluorophenoxy)-2,2-dimethylpropanoate
CID 79622618
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propylamino)propanamide
CID 81265246
2-amino-2-cyclopropyl-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170442

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide (CID 63920985) is 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide is CC(C)NC(COc1ccc(F)c(F)c1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
The InChIKey is AYPBSQTYBIZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(2)19-15(14(18)20,10-3-4-10)8-21-11-5-6-12(16)13(17)7-11/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,18,20).
What are the key properties of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide has a molecular weight of 298.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63920985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).