N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide

C22H28N2O4 — CID 38324139

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccccc1CN(C)C(C)=O
InChIInChI=1S/C22H28N2O4/c1-4-27-20-12-7-8-13-21(20)28-15-9-14-22(26)23-19-11-6-5-10-18(19)16-24(3)17(2)25/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,23,26)
InChIKeyVVHUNVVDEAXETI-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.86
Rot. Bonds10

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide (PubChem CID 38324139) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
PubChem CID38324139
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1ccccc1CN(C)C(C)=O
InChIInChI=1S/C22H28N2O4/c1-4-27-20-12-7-8-13-21(20)28-15-9-14-22(26)23-19-11-6-5-10-18(19)16-24(3)17(2)25/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,23,26)
InChIKeyVVHUNVVDEAXETI-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
CID 62832902
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 39277767
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 55552164
N-(2-ethoxyphenyl)octanamide
CID 4158866
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide (CID 38324139) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccccc1CN(C)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is VVHUNVVDEAXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-27-20-12-7-8-13-21(20)28-15-9-14-22(26)23-19-11-6-5-10-18(19)16-24(3)17(2)25/h5-8,10-13H,4,9,14-16H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 384.48 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 38324139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).