2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide

C15H22N2O2 — CID 78936986

IUPAC2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCC[C@@H](N)c1ccc(OCC(=O)N(C)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-14(16)11-4-8-13(9-5-11)19-10-15(18)17(2)12-6-7-12/h4-5,8-9,12,14H,3,6-7,10,16H2,1-2H3/t14-/m1/s1
InChIKeyXGSVERAMKQVKTR-CQSZACIVSA-N
MW262.35 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide

2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 78936986) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID78936986
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCC[C@@H](N)c1ccc(OCC(=O)N(C)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-14(16)11-4-8-13(9-5-11)19-10-15(18)17(2)12-6-7-12/h4-5,8-9,12,14H,3,6-7,10,16H2,1-2H3/t14-/m1/s1
InChIKeyXGSVERAMKQVKTR-CQSZACIVSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
CID 30078683
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide (CID 78936986) is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide is CC[C@@H](N)c1ccc(OCC(=O)N(C)C2CC2)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is XGSVERAMKQVKTR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-14(16)11-4-8-13(9-5-11)19-10-15(18)17(2)12-6-7-12/h4-5,8-9,12,14H,3,6-7,10,16H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 78936986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).