2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C17H25FN4O3 — CID 27083840

IUPAC2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCNC(=O)NC(=O)CN(CC)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN4O3/c1-3-9-19-17(25)21-16(24)12-22(4-2)11-15(23)20-10-13-5-7-14(18)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,20,23)(H2,19,21,24,25)
InChIKeyQERGGPKPQCCKJG-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.00
Rot. Bonds9

About 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27083840) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27083840
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCCNC(=O)NC(=O)CN(CC)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H25FN4O3/c1-3-9-19-17(25)21-16(24)12-22(4-2)11-15(23)20-10-13-5-7-14(18)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,20,23)(H2,19,21,24,25)
InChIKeyQERGGPKPQCCKJG-UHFFFAOYSA-N
XLogP1.00
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
CID 52685023
2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 95907538
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302621
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 111976581

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 27083840) is 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCCNC(=O)NC(=O)CN(CC)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QERGGPKPQCCKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-3-9-19-17(25)21-16(24)12-22(4-2)11-15(23)20-10-13-5-7-14(18)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H,20,23)(H2,19,21,24,25).
What are the key properties of 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 352.41 g/mol, XLogP of 1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27083840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).