2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide

C20H25FN2O2 — CID 75878457

IUPAC2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1F)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H25FN2O2/c1-4-23(15(2)16-9-7-10-18(12-16)25-3)14-20(24)22-13-17-8-5-6-11-19(17)21/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyBESXKWMSQYBCHG-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.53
Rot. Bonds8

About 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 75878457) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID75878457
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1F)C(C)c1cccc(OC)c1
InChIInChI=1S/C20H25FN2O2/c1-4-23(15(2)16-9-7-10-18(12-16)25-3)14-20(24)22-13-17-8-5-6-11-19(17)21/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyBESXKWMSQYBCHG-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-[[2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55702850
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 55700187
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
2-[benzhydryl(3-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 56514413
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374
(3R)-3-amino-4-(2-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]butanamide
CID 11522773

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 75878457) is 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccccc1F)C(C)c1cccc(OC)c1.
What is the InChIKey of 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is BESXKWMSQYBCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-4-23(15(2)16-9-7-10-18(12-16)25-3)14-20(24)22-13-17-8-5-6-11-19(17)21/h5-12,15H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 75878457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).