N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

C15H20N2O3 — CID 112722313

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-9-16-12-15(18)17(2)10-11-20-14-7-5-13(19-3)6-8-14/h1,5-8,16H,9-12H2,2-3H3
InChIKeyABYGJGOUMQLLSQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.76
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 112722313) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID112722313
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-9-16-12-15(18)17(2)10-11-20-14-7-5-13(19-3)6-8-14/h1,5-8,16H,9-12H2,2-3H3
InChIKeyABYGJGOUMQLLSQ-UHFFFAOYSA-N
XLogP0.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683403
1-[2-(4-methoxyphenoxy)ethyl]-1,2-dimethyl-3-prop-2-ynylguanidine
CID 75421199
2-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 103602421
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
3-amino-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 106111938
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060237
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (CID 112722313) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CCOc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is ABYGJGOUMQLLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-9-16-12-15(18)17(2)10-11-20-14-7-5-13(19-3)6-8-14/h1,5-8,16H,9-12H2,2-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).