3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide

C23H29FN2O4 — CID 18280419

IUPAC3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1OCC
InChIInChI=1S/C23H29FN2O4/c1-4-13-30-20-12-9-18(14-21(20)29-6-3)23(28)26(5-2)16-22(27)25-15-17-7-10-19(24)11-8-17/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,25,27)
InChIKeyNYCGMRXYEMROSS-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.79
Rot. Bonds11

About 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide

3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide (PubChem CID 18280419) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
PubChem CID18280419
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1OCC
InChIInChI=1S/C23H29FN2O4/c1-4-13-30-20-12-9-18(14-21(20)29-6-3)23(28)26(5-2)16-22(27)25-15-17-7-10-19(24)11-8-17/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,25,27)
InChIKeyNYCGMRXYEMROSS-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 2646544
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
CID 55358457
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266099
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide (CID 18280419) is 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide?
The InChIKey is NYCGMRXYEMROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-4-13-30-20-12-9-18(14-21(20)29-6-3)23(28)26(5-2)16-22(27)25-15-17-7-10-19(24)11-8-17/h7-12,14H,4-6,13,15-16H2,1-3H3,(H,25,27).
What are the key properties of 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide?
3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide has a molecular weight of 416.49 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide is sourced from PubChem (CID 18280419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).