3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C13H25F3N2O — CID 55122690

IUPAC3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNCC(C)C(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C13H25F3N2O/c1-5-11(6-2)18(9-13(14,15)16)12(19)10(4)8-17-7-3/h10-11,17H,5-9H2,1-4H3
InChIKeyCAORPFCXWCVWCM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.81
Rot. Bonds8

About 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 55122690) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID55122690
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCNCC(C)C(=O)N(CC(F)(F)F)C(CC)CC
InChIInChI=1S/C13H25F3N2O/c1-5-11(6-2)18(9-13(14,15)16)12(19)10(4)8-17-7-3/h10-11,17H,5-9H2,1-4H3
InChIKeyCAORPFCXWCVWCM-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
2-[butan-2-yl-[3-(ethylamino)-2-methylpropanoyl]amino]acetic acid
CID 62838561
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
2-(azetidin-3-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676497
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62851812

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 55122690) is 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCNCC(C)C(=O)N(CC(F)(F)F)C(CC)CC.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CAORPFCXWCVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-5-11(6-2)18(9-13(14,15)16)12(19)10(4)8-17-7-3/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.35 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 55122690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).