N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide

C18H20ClNO3 — CID 56539601

IUPACN-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NOCCOc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO3/c1-18(2,14-7-4-3-5-8-14)17(21)20-23-12-11-22-16-10-6-9-15(19)13-16/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyCDVPXHSOQXCUHG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.74
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide

N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide (PubChem CID 56539601) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide
PubChem CID56539601
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NOCCOc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20ClNO3/c1-18(2,14-7-4-3-5-8-14)17(21)20-23-12-11-22-16-10-6-9-15(19)13-16/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyCDVPXHSOQXCUHG-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.74
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

2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide
CID 56539537
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide
CID 56574152
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
4-(3-chlorophenoxy)-N,2-dimethylbutan-2-amine
CID 94684961
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
3-(3-chlorophenoxy)propanamide
CID 23512799
CID 131885829
CID 131885829
2-(3-chlorophenoxy)ethyl 3-benzamidobutanoate
CID 46819617
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
2-[3-(3-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817951

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide (CID 56539601) is N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NOCCOc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide?
The InChIKey is CDVPXHSOQXCUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-18(2,14-7-4-3-5-8-14)17(21)20-23-12-11-22-16-10-6-9-15(19)13-16/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide?
N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethoxy]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 56539601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).