N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide

C20H26N2O3 — CID 94614124

IUPACN-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
SMILESCCN(CC)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-22(5-2)17-11-9-16(10-12-17)14-21-20(23)15-25-19-8-6-7-18(13-19)24-3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyOQRQZQAWRFRCCY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.24
Rot. Bonds9

About N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide

N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 94614124) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID94614124
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
SMILESCCN(CC)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-22(5-2)17-11-9-16(10-12-17)14-21-20(23)15-25-19-8-6-7-18(13-19)24-3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyOQRQZQAWRFRCCY-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 82097492
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 112977719
2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307790
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide (CID 94614124) is N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide is CCN(CC)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is OQRQZQAWRFRCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(5-2)17-11-9-16(10-12-17)14-21-20(23)15-25-19-8-6-7-18(13-19)24-3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide?
N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 94614124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).