2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

C18H26FN3O2 — CID 8683236

IUPAC2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H26FN3O2/c1-3-20-17(23)12-21(4-2)13-18(24)22(15-9-10-15)11-14-7-5-6-8-16(14)19/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,23)
InChIKeyIZEORYBQPJYKPN-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.77
Rot. Bonds9

About 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 8683236) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID8683236
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H26FN3O2/c1-3-20-17(23)12-21(4-2)13-18(24)22(15-9-10-15)11-14-7-5-6-8-16(14)19/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,23)
InChIKeyIZEORYBQPJYKPN-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium
CID 8910266
N-ethyl-2-[ethyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetamide
CID 27075004
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 31443397
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 8683236) is 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is IZEORYBQPJYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-3-20-17(23)12-21(4-2)13-18(24)22(15-9-10-15)11-14-7-5-6-8-16(14)19/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 335.42 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8683236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).