N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide

C16H21N3O2 — CID 139360758

IUPACN-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide
SMILESCC(C)c1cc2cc(OCC(=O)NCCN)ccc2cn1
InChIInChI=1S/C16H21N3O2/c1-11(2)15-8-13-7-14(4-3-12(13)9-19-15)21-10-16(20)18-6-5-17/h3-4,7-9,11H,5-6,10,17H2,1-2H3,(H,18,20)
InChIKeyJXJDORKPTAKVEY-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds6

About N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide

N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide (PubChem CID 139360758) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide
PubChem CID139360758
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide
SMILESCC(C)c1cc2cc(OCC(=O)NCCN)ccc2cn1
InChIInChI=1S/C16H21N3O2/c1-11(2)15-8-13-7-14(4-3-12(13)9-19-15)21-10-16(20)18-6-5-17/h3-4,7-9,11H,5-6,10,17H2,1-2H3,(H,18,20)
InChIKeyJXJDORKPTAKVEY-UHFFFAOYSA-N
XLogP1.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
CID 148891313
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide (CID 139360758) is N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide is CC(C)c1cc2cc(OCC(=O)NCCN)ccc2cn1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide?
The InChIKey is JXJDORKPTAKVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)15-8-13-7-14(4-3-12(13)9-19-15)21-10-16(20)18-6-5-17/h3-4,7-9,11H,5-6,10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide?
N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide is sourced from PubChem (CID 139360758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).