N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C11H21F3N2O2 — CID 103807711

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)C(N)CCN(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(2)9(15)4-5-16(3)10(17)6-18-7-11(12,13)14/h8-9H,4-7,15H2,1-3H3
InChIKeyAQBBBUQNIXYUMJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.40
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103807711) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103807711
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)C(N)CCN(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(2)9(15)4-5-16(3)10(17)6-18-7-11(12,13)14/h8-9H,4-7,15H2,1-3H3
InChIKeyAQBBBUQNIXYUMJ-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 119661203
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide;hydrochloride
CID 119661202
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
CID 103021642
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211537
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103807711) is N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)C(N)CCN(C)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AQBBBUQNIXYUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(2)9(15)4-5-16(3)10(17)6-18-7-11(12,13)14/h8-9H,4-7,15H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 270.30 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103807711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).