4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide

C25H28N2O3 — CID 55767816

IUPAC4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C25H28N2O3/c1-3-29-22-15-7-8-16-23(22)30-19-11-17-24(28)27(2)25(20-12-5-4-6-13-20)21-14-9-10-18-26-21/h4-10,12-16,18,25H,3,11,17,19H2,1-2H3
InChIKeyDIAGBYIIADOTBB-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.89
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide

4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide (PubChem CID 55767816) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
PubChem CID55767816
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C25H28N2O3/c1-3-29-22-15-7-8-16-23(22)30-19-11-17-24(28)27(2)25(20-12-5-4-6-13-20)21-14-9-10-18-26-21/h4-10,12-16,18,25H,3,11,17,19H2,1-2H3
InChIKeyDIAGBYIIADOTBB-UHFFFAOYSA-N
XLogP4.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55768262
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 60530727
N-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51956913
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767815
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
CID 95979967
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55768036
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
CID 52524823

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide (CID 55767816) is 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide is CCOc1ccccc1OCCCC(=O)N(C)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The InChIKey is DIAGBYIIADOTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-29-22-15-7-8-16-23(22)30-19-11-17-24(28)27(2)25(20-12-5-4-6-13-20)21-14-9-10-18-26-21/h4-10,12-16,18,25H,3,11,17,19H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide has a molecular weight of 404.51 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide is sourced from PubChem (CID 55767816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).