2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide

C19H23NO3 — CID 56539537

IUPAC2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide
SMILESCc1ccccc1OCCONC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-15-9-7-8-12-17(15)22-13-14-23-20-18(21)19(2,3)16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyPFCYTBYGHXCFSE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.40
Rot. Bonds7

About 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide

2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide (PubChem CID 56539537) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide
PubChem CID56539537
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide
SMILESCc1ccccc1OCCONC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-15-9-7-8-12-17(15)22-13-14-23-20-18(21)19(2,3)16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyPFCYTBYGHXCFSE-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide
CID 56539601
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
2,2-dimethyl-4-(2-methylphenoxy)butanoic acid
CID 65248196
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
2-methyl-2-[2-(2-methylphenoxy)ethylamino]butanoic acid
CID 79789369
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
CID 94681294
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
2-methyl-2-[[1-[2-(2-methylphenoxy)ethoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 90763374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide (CID 56539537) is 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide is Cc1ccccc1OCCONC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide?
The InChIKey is PFCYTBYGHXCFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-9-7-8-12-17(15)22-13-14-23-20-18(21)19(2,3)16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide?
2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide is sourced from PubChem (CID 56539537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).