2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide

C16H24N2O3 — CID 31326707

IUPAC2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
SMILESCc1cccc(OCCNC(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12-6-5-7-13(10-12)21-9-8-17-14(19)11-18-15(20)16(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyIUTYOFXYHCPMQK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds6

About 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide (PubChem CID 31326707) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
PubChem CID31326707
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
SMILESCc1cccc(OCCNC(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12-6-5-7-13(10-12)21-9-8-17-14(19)11-18-15(20)16(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyIUTYOFXYHCPMQK-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
(3-methylphenyl) 2-(2,2-dimethylpropanoylamino)acetate
CID 110670400
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34068567
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 111336190

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide (CID 31326707) is 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide is Cc1cccc(OCCNC(=O)CNC(=O)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
The InChIKey is IUTYOFXYHCPMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-6-5-7-13(10-12)21-9-8-17-14(19)11-18-15(20)16(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 31326707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).