2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide

C17H21N3O3 — CID 56818402

IUPAC2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(N)=O)CC(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H21N3O3/c1-20(11-16(18)21)12-17(22)19-8-9-23-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyWBDQFWOIBPSADW-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.75
Rot. Bonds8

About 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide

2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide (PubChem CID 56818402) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide
PubChem CID56818402
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(N)=O)CC(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H21N3O3/c1-20(11-16(18)21)12-17(22)19-8-9-23-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyWBDQFWOIBPSADW-UHFFFAOYSA-N
XLogP0.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
(2R,3S)-2-methyl-N-(2-naphthalen-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26037093
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide (CID 56818402) is 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide is CN(CC(N)=O)CC(=O)NCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is WBDQFWOIBPSADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20(11-16(18)21)12-17(22)19-8-9-23-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10H,8-9,11-12H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide?
2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 315.37 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 56818402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).