3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide

C14H27F3N2O2 — CID 65269422

IUPAC3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H27F3N2O2/c1-6-21-9-7-8-19(10-14(15,16)17)11(20)12(2,3)13(4,5)18/h6-10,18H2,1-5H3
InChIKeyWMURJLBSUVMKPP-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.57
Rot. Bonds8

About 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide

3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65269422) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65269422
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H27F3N2O2/c1-6-21-9-7-8-19(10-14(15,16)17)11(20)12(2,3)13(4,5)18/h6-10,18H2,1-5H3
InChIKeyWMURJLBSUVMKPP-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145
2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227540
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060
4,5-dibromo-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 112727891
2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258337

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 65269422) is 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is CCOCCCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WMURJLBSUVMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-6-21-9-7-8-19(10-14(15,16)17)11(20)12(2,3)13(4,5)18/h6-10,18H2,1-5H3.
What are the key properties of 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 312.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65269422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).