2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide

C15H22N2O3 — CID 60907625

IUPAC2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(CC(C)N)cccc1OC
InChIInChI=1S/C15H22N2O3/c1-4-8-17-14(18)10-20-15-12(9-11(2)16)6-5-7-13(15)19-3/h4-7,11H,1,8-10,16H2,2-3H3,(H,17,18)
InChIKeyOQCXGORGZVTEPR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds8

About 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide

2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide (PubChem CID 60907625) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
PubChem CID60907625
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(CC(C)N)cccc1OC
InChIInChI=1S/C15H22N2O3/c1-4-8-17-14(18)10-20-15-12(9-11(2)16)6-5-7-13(15)19-3/h4-7,11H,1,8-10,16H2,2-3H3,(H,17,18)
InChIKeyOQCXGORGZVTEPR-UHFFFAOYSA-N
XLogP1.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-propylacetamide
CID 60906912
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide (CID 60907625) is 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1c(CC(C)N)cccc1OC.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide?
The InChIKey is OQCXGORGZVTEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-8-17-14(18)10-20-15-12(9-11(2)16)6-5-7-13(15)19-3/h4-7,11H,1,8-10,16H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide?
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 60907625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).