3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide

C9H17F3N2O — CID 88589073

IUPAC3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide
SMILESCCNC(CC(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-4-13-7(9(10,11)12)5-8(15)14-6(2)3/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyWRXFVPNBGITIFF-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.44
Rot. Bonds5

About 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide

3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide (PubChem CID 88589073) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide
PubChem CID88589073
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide
SMILESCCNC(CC(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-4-13-7(9(10,11)12)5-8(15)14-6(2)3/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyWRXFVPNBGITIFF-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
2-(ethylamino)-3,3,3-trifluoropropan-1-ol
CID 83815516
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
3-butyl-N-propan-2-yloctanamide
CID 90867024
3-(3-methylbutan-2-ylamino)-N-propan-2-ylbutanamide
CID 115724429
methyl (2S)-2-[[4,4,4-trifluoro-3-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]butanoyl]amino]propanoate
CID 10939159
3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
CID 115905985
4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide
CID 147579699
(3R)-3-(2-methylbutan-2-ylcarbamoylamino)-N-propan-2-ylbutanamide
CID 97095456
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
CID 121359379
ethane;N-propan-2-ylbutanamide
CID 169175258

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide?
The IUPAC name of 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide (CID 88589073) is 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide is CCNC(CC(=O)NC(C)C)C(F)(F)F.
What is the InChIKey of 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide?
The InChIKey is WRXFVPNBGITIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-4-13-7(9(10,11)12)5-8(15)14-6(2)3/h6-7,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide?
3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide has a molecular weight of 226.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide is sourced from PubChem (CID 88589073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).