2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide

C16H24N2O3 — CID 43021745

IUPAC2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
SMILESCc1ccc(OCCNC(=O)CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12-5-7-13(8-6-12)21-10-9-17-14(19)11-18-15(20)16(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWHSDJBYXACASAT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds6

About 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide (PubChem CID 43021745) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
PubChem CID43021745
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
SMILESCc1ccc(OCCNC(=O)CNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12-5-7-13(8-6-12)21-10-9-17-14(19)11-18-15(20)16(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWHSDJBYXACASAT-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-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 82109933
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide (CID 43021745) is 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide is Cc1ccc(OCCNC(=O)CNC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
The InChIKey is WHSDJBYXACASAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-7-13(8-6-12)21-10-9-17-14(19)11-18-15(20)16(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[2-(4-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-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 43021745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).