N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide

C14H21NO3 — CID 94421928

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)13(16)15-9-10-18-12-7-5-11(17-4)6-8-12/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyYFZTUFNGALSUSC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide

N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide (PubChem CID 94421928) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
PubChem CID94421928
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)13(16)15-9-10-18-12-7-5-11(17-4)6-8-12/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyYFZTUFNGALSUSC-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965915
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959866
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide (CID 94421928) is N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide is COc1ccc(OCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
The InChIKey is YFZTUFNGALSUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)13(16)15-9-10-18-12-7-5-11(17-4)6-8-12/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 94421928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).