2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C17H21F3N4O3 — CID 27221865

IUPAC2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CCC)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H21F3N4O3/c1-3-7-21-17(27)23-14(26)10-24(8-4-2)9-13(25)22-12-6-5-11(18)15(19)16(12)20/h3,5-6H,1,4,7-10H2,2H3,(H,22,25)(H2,21,23,26,27)
InChIKeyQFCSLUDHSWHKJP-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.77
Rot. Bonds9

About 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 27221865) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID27221865
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CCC)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H21F3N4O3/c1-3-7-21-17(27)23-14(26)10-24(8-4-2)9-13(25)22-12-6-5-11(18)15(19)16(12)20/h3,5-6H,1,4,7-10H2,2H3,(H,22,25)(H2,21,23,26,27)
InChIKeyQFCSLUDHSWHKJP-UHFFFAOYSA-N
XLogP1.77
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104198
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 52685018
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
2-[(4-fluorophenyl)methylsulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675523

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 27221865) is 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is C=CCNC(=O)NC(=O)CN(CCC)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QFCSLUDHSWHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-3-7-21-17(27)23-14(26)10-24(8-4-2)9-13(25)22-12-6-5-11(18)15(19)16(12)20/h3,5-6H,1,4,7-10H2,2H3,(H,22,25)(H2,21,23,26,27).
What are the key properties of 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 386.37 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 27221865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).