3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide

C13H23F3N2O — CID 62852011

IUPAC3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCCNCC(C)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-3-17-8-9(2)12(19)18-11-6-4-5-10(7-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyRPXZBOCQUAFVDA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds5

About 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide

3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 62852011) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID62852011
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCCNCC(C)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-3-17-8-9(2)12(19)18-11-6-4-5-10(7-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyRPXZBOCQUAFVDA-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
N-cyclobutyl-3-(ethylamino)-2-methylpropanamide
CID 62839829
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 76887112
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 81076103
(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
N-(cyclobutylmethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853240
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 62852011) is 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide is CCNCC(C)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is RPXZBOCQUAFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-17-8-9(2)12(19)18-11-6-4-5-10(7-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 62852011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).