N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide

C22H28N2O4 — CID 60567011

IUPACN-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-27-16-10-12-17(13-11-16)28-19-9-7-6-8-18(19)24-21(26)15-23-20(25)14-22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYHVWAUXBGADGMV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.37
Rot. Bonds8

About N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 60567011) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID60567011
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-27-16-10-12-17(13-11-16)28-19-9-7-6-8-18(19)24-21(26)15-23-20(25)14-22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYHVWAUXBGADGMV-UHFFFAOYSA-N
XLogP4.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethoxyphenoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133553
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 112768786
N-[2-(4-ethoxyphenoxy)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78838328
N-[2-(4-ethoxyphenoxy)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037548
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-[2-(4-ethoxyphenoxy)phenyl]-2-thiophen-3-ylacetamide
CID 8002490
N-[2-(4-ethoxyphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 60546146
1-[2-(4-ethoxyphenoxy)phenyl]-3-ethylthiourea
CID 2084266
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
N-[2-(2-chlorophenoxy)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16568471
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 60567011) is N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide is CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)CC(C)(C)C)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is YHVWAUXBGADGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-27-16-10-12-17(13-11-16)28-19-9-7-6-8-18(19)24-21(26)15-23-20(25)14-22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 384.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 60567011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).